CAS
94266-22-5 Purity
96%
94266-22-5 Purity
96%
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Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate
CAS
94266-26-9
Catalog Number
ACM94266269
Category
Other Products
Molecular Weight
645.050440 [g/mol]
Molecular Formula
C42H76O4
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Specification
Synonyms
Isopropyl 4,5-dihexyl-6-(10-(1-methylethoxy)-10-oxo-1-decenyl)cyclohex-2-ene-1-octanoate, 94266-26-9, EINECS 304-432-3
IUPAC Name
propan-2-yl (E)-10-[5,6-dihexyl-2-(8-oxo-8-propan-2-yloxyoctyl)cyclohex-3-en-1-yl]dec-9-enoate
Canonical SMILES
CCCCCCC1C=CC(C(C1CCCCCC)C=CCCCCCCCC(=O)OC(C)C)CCCCCCCC(=O)OC(C)C
InChI Key
BFZNCPXNOGIELB-BGABXYSRSA-N
EC Number
304-432-3
Exact Mass
644.57400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate?
The molecular formula is C42H76O4.
What are the synonyms for Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate?
The synonyms are EINECS 304-432-3 and 94266-26-9.
What is the IUPAC name of Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate?
The IUPAC name is propan-2-yl (E)-10-[5,6-dihexyl-2-(8-oxo-8-propan-2-yloxyoctyl)cyclohex-3-en-1-yl]dec-9-enoate.
What is the InChI of Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate?
The InChI is InChI=1S/C42H76O4/c1-7-9-11-21-27-37-33-34-38(28-22-17-16-20-26-32-42(44)46-36(5)6)40(39(37)29-23-12-10-8-2)30-24-18-14-13-15-19-25-31-41(43)45-35(3)4/h24,30,33-40H,7-23,25-29,31-32H2,1-6H3/b30-24+.
What is the InChIKey of Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate?
The InChIKey is BFZNCPXNOGIELB-BGABXYSRSA-N.
What is the molecular weight of Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate?
The molecular weight is 645.0 g/mol.
What is the XLogP3-AA value of Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate?
The XLogP3-AA value is 15.6.
How many hydrogen bond donor counts does Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate have?
It has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate have?
It has 31 rotatable bond counts.
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