4-methoxycyclohexane-1-carboxylic acid

C8H14O3 — CID 736153

IUPAC4-methoxycyclohexane-1-carboxylic acid
SMILESCOC1CCC(C(=O)O)CC1
InChIInChI=1S/C8H14O3/c1-11-7-4-2-6(3-5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyWKILSRYNRQGRMA-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.28
Rot. Bonds2

About 4-methoxycyclohexane-1-carboxylic acid

4-methoxycyclohexane-1-carboxylic acid (PubChem CID 736153) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-methoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxycyclohexane-1-carboxylic acid
PubChem CID736153
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-methoxycyclohexane-1-carboxylic acid
SMILESCOC1CCC(C(=O)O)CC1
InChIInChI=1S/C8H14O3/c1-11-7-4-2-6(3-5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyWKILSRYNRQGRMA-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-methoxycyclohexane-1-carboxylic acid (CID 736153) is 4-methoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methoxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methoxycyclohexane-1-carboxylic acid is COC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-methoxycyclohexane-1-carboxylic acid?
The InChIKey is WKILSRYNRQGRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-11-7-4-2-6(3-5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-methoxycyclohexane-1-carboxylic acid?
4-methoxycyclohexane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 736153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).