2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate

C14H23O3- — CID 147745082

IUPAC2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate
SMILESO=C([O-])CC1(O)CCCCC1C1CCCCC1
InChIInChI=1S/C14H24O3/c15-13(16)10-14(17)9-5-4-8-12(14)11-6-2-1-3-7-11/h11-12,17H,1-10H2,(H,15,16)/p-1
InChIKeyHBCMZWBCNDLBNI-UHFFFAOYSA-M
MW239.33 g/mol
LogP1.63
Rot. Bonds3

About 2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate

2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate (PubChem CID 147745082) has the molecular formula C14H23O3- and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate.

Molecular Properties

Compound Name2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate
PubChem CID147745082
Molecular FormulaC14H23O3-
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate
SMILESO=C([O-])CC1(O)CCCCC1C1CCCCC1
InChIInChI=1S/C14H24O3/c15-13(16)10-14(17)9-5-4-8-12(14)11-6-2-1-3-7-11/h11-12,17H,1-10H2,(H,15,16)/p-1
InChIKeyHBCMZWBCNDLBNI-UHFFFAOYSA-M
XLogP1.63
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate?
The IUPAC name of 2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate (CID 147745082) is 2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate.
What is the SMILES notation for 2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate?
The canonical SMILES for 2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate is O=C([O-])CC1(O)CCCCC1C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate?
The InChIKey is HBCMZWBCNDLBNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H24O3/c15-13(16)10-14(17)9-5-4-8-12(14)11-6-2-1-3-7-11/h11-12,17H,1-10H2,(H,15,16)/p-1.
What are the key properties of 2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate?
2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate has a molecular weight of 239.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1-hydroxycyclohexyl)acetate is sourced from PubChem (CID 147745082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).