CAS
94135-38-3 Purity
96%
94135-38-3 Purity
96%
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Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate
CAS
94135-46-3
Catalog Number
ACM94135463
Category
Other Products
Molecular Weight
322.482160 [g/mol]
Molecular Formula
C20H34O3
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Specification
Synonyms
EINECS 302-915-3, CID6366459, Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate, 94135-46-3
IUPAC Name
butyl (E)-3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate
Canonical SMILES
CCCCOC(=O)CC(C)(C(=CC1C(=CCCC1(C)C)C)C)O
InChI Key
ICPXGSJJLTZHKN-DTQAZKPQSA-N
Boiling Point
413.8ºC at 760mmHg
Flash Point
155.8ºC
Density
0.992g/cm³
EC Number
302-915-3
Exact Mass
322.25100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate?
The molecular formula is C20H34O3.
What are the synonyms for Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate?
The synonyms are EINECS 302-915-3 and 94135-46-3.
What is the molecular weight of Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate?
The molecular weight is 322.5 g/mol.
What is the IUPAC name for Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate?
The IUPAC name is butyl (E)-3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-4-enoate.
What is the InChI of Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate?
The InChI is InChI=1S/C20H34O3/c1-7-8-12-23-18(21)14-20(6,22)16(3)13-17-15(2)10-9-11-19(17,4)5/h10,13,17,22H,7-9,11-12,14H2,1-6H3/b16-13+.
What is the InChIKey of Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate?
The InChIKey is ICPXGSJJLTZHKN-DTQAZKPQSA-N.
What is the canonical SMILES of Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate?
The canonical SMILES is CCCCOC(=O)CC(C)(C(=CC1C(=CCCC1(C)C)C)C)O.
How many hydrogen bond donor counts does Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate have?
It has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does Butyl 3-hydroxy-3,4-dimethyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate have?
It has 8 rotatable bond counts.
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94135-47-4 Purity
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94135-47-4 Purity
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