(1-cyclohexylcyclopropyl) acetate

C11H18O2 — CID 91131251

IUPAC(1-cyclohexylcyclopropyl) acetate
SMILESCC(=O)OC1(C2CCCCC2)CC1
InChIInChI=1S/C11H18O2/c1-9(12)13-11(7-8-11)10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyCDVCJDDZSXQYGS-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds2

About (1-cyclohexylcyclopropyl) acetate

(1-cyclohexylcyclopropyl) acetate (PubChem CID 91131251) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1-cyclohexylcyclopropyl) acetate.

Molecular Properties

Compound Name(1-cyclohexylcyclopropyl) acetate
PubChem CID91131251
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1-cyclohexylcyclopropyl) acetate
SMILESCC(=O)OC1(C2CCCCC2)CC1
InChIInChI=1S/C11H18O2/c1-9(12)13-11(7-8-11)10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyCDVCJDDZSXQYGS-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclohexylcyclopentyl) acetate
CID 12039389
(1-cyclobutylcyclopentyl) acetate
CID 177097462
(1-butyl-4-cyclohexylpiperidin-4-yl) acetate
CID 3048576
4-O-(1-cyclohexylcyclopropyl) 1-O-methyl 2-methylidenebutanedioate
CID 155255762
1-(1-cyclopentylcyclohexyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443098
3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid
CID 121273660
(1-cycloheptyl-4-oxocycloheptyl) 2-methylprop-2-enoate
CID 139903733
(7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate
CID 14319660
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
(1-cyclohexylcyclohexyl) (2R)-2-fluoropentanoate
CID 158761805
(1-cyclohexyl-3,3-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 122533343
(9-nitroso-9-bicyclo[3.3.1]nonanyl) acetate
CID 87200662

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylcyclopropyl) acetate?
The IUPAC name of (1-cyclohexylcyclopropyl) acetate (CID 91131251) is (1-cyclohexylcyclopropyl) acetate.
What is the SMILES notation for (1-cyclohexylcyclopropyl) acetate?
The canonical SMILES for (1-cyclohexylcyclopropyl) acetate is CC(=O)OC1(C2CCCCC2)CC1.
What is the InChIKey of (1-cyclohexylcyclopropyl) acetate?
The InChIKey is CDVCJDDZSXQYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9(12)13-11(7-8-11)10-5-3-2-4-6-10/h10H,2-8H2,1H3.
What are the key properties of (1-cyclohexylcyclopropyl) acetate?
(1-cyclohexylcyclopropyl) acetate has a molecular weight of 182.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylcyclopropyl) acetate is sourced from PubChem (CID 91131251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).