CAS
97889-93-5 Purity
96%
97889-93-5 Purity
96%
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5-Cyclohexyl-5-methyl-3-hexyl acetate
CAS
97889-97-9
Catalog Number
ACM97889979
Category
Other Products
Molecular Weight
240.381620 [g/mol]
Molecular Formula
C15H28O2
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Specification
Synonyms
5-Cyclohexyl-5-methyl-3-hexyl acetate, EINECS 308-176-3, CID113424, 97889-97-9
IUPAC Name
(5-cyclohexyl-5-methylhexan-3-yl) acetate
Canonical SMILES
CCC(CC(C)(C)C1CCCCC1)OC(=O)C
InChI Key
JWMMZKLKENBFEY-UHFFFAOYSA-N
Boiling Point
267.2ºC at 760mmHg
Flash Point
117.2ºC
Density
0.927g/cm³
EC Number
308-176-3
Exact Mass
240.20900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 5-Cyclohexyl-5-methyl-3-hexyl acetate?
The molecular formula of 5-Cyclohexyl-5-methyl-3-hexyl acetate is C15H28O2.
What is the molecular weight of 5-Cyclohexyl-5-methyl-3-hexyl acetate?
The molecular weight of 5-Cyclohexyl-5-methyl-3-hexyl acetate is 240.38 g/mol.
What is the IUPAC name of 5-Cyclohexyl-5-methyl-3-hexyl acetate?
The IUPAC name of 5-Cyclohexyl-5-methyl-3-hexyl acetate is (5-cyclohexyl-5-methylhexan-3-yl) acetate.
What is the Canonical SMILES of 5-Cyclohexyl-5-methyl-3-hexyl acetate?
The Canonical SMILES of 5-Cyclohexyl-5-methyl-3-hexyl acetate is CCC(CC(C)(C)C1CCCCC1)OC(=O)C.
What is the InChI of 5-Cyclohexyl-5-methyl-3-hexyl acetate?
The InChI of 5-Cyclohexyl-5-methyl-3-hexyl acetate is InChI=1S/C15H28O2/c1-5-14(17-12(2)16)11-15(3,4)13-9-7-6-8-10-13/h13-14H,5-11H2,1-4H3.
How many hydrogen bond donor counts are there in 5-Cyclohexyl-5-methyl-3-hexyl acetate?
There are 0 hydrogen bond donor counts in 5-Cyclohexyl-5-methyl-3-hexyl acetate.
What is the XLogP3-AA value of 5-Cyclohexyl-5-methyl-3-hexyl acetate?
The XLogP3-AA value of 5-Cyclohexyl-5-methyl-3-hexyl acetate is 5.4.
What is the topological polar surface area of 5-Cyclohexyl-5-methyl-3-hexyl acetate?
The topological polar surface area of 5-Cyclohexyl-5-methyl-3-hexyl acetate is 26.3 Å2.
How many rotatable bond counts are there in 5-Cyclohexyl-5-methyl-3-hexyl acetate?
There are 6 rotatable bond counts in 5-Cyclohexyl-5-methyl-3-hexyl acetate.
Is 5-Cyclohexyl-5-methyl-3-hexyl acetate a canonicalized compound?
Yes, 5-Cyclohexyl-5-methyl-3-hexyl acetate is a canonicalized compound.
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