4-acetyloxycyclohexane-1-carboxylic acid

C9H14O4 — CID 759245

IUPAC4-acetyloxycyclohexane-1-carboxylic acid
SMILESCC(=O)OC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H14O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h7-8H,2-5H2,1H3,(H,11,12)
InChIKeyUNYSEEUVFCINOW-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.19
Rot. Bonds2

About 4-acetyloxycyclohexane-1-carboxylic acid

4-acetyloxycyclohexane-1-carboxylic acid (PubChem CID 759245) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-acetyloxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-acetyloxycyclohexane-1-carboxylic acid
PubChem CID759245
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name4-acetyloxycyclohexane-1-carboxylic acid
SMILESCC(=O)OC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H14O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h7-8H,2-5H2,1H3,(H,11,12)
InChIKeyUNYSEEUVFCINOW-UHFFFAOYSA-N
XLogP1.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyloxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-acetyloxycyclohexane-1-carboxylic acid (CID 759245) is 4-acetyloxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-acetyloxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-acetyloxycyclohexane-1-carboxylic acid is CC(=O)OC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-acetyloxycyclohexane-1-carboxylic acid?
The InChIKey is UNYSEEUVFCINOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h7-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-acetyloxycyclohexane-1-carboxylic acid?
4-acetyloxycyclohexane-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyloxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 759245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).