(1R)-4-methylcyclohex-3-ene-1-carboxylic acid

C8H12O2 — CID 11040781

IUPAC(1R)-4-methylcyclohex-3-ene-1-carboxylic acid
SMILESCC1=CC[C@H](C(=O)O)CC1
InChIInChI=1S/C8H12O2/c1-6-2-4-7(5-3-6)8(9)10/h2,7H,3-5H2,1H3,(H,9,10)/t7-/m0/s1
InChIKeyOYOQOLNBTPTFEM-ZETCQYMHSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds1

About (1R)-4-methylcyclohex-3-ene-1-carboxylic acid

(1R)-4-methylcyclohex-3-ene-1-carboxylic acid (PubChem CID 11040781) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1R)-4-methylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-4-methylcyclohex-3-ene-1-carboxylic acid
PubChem CID11040781
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1R)-4-methylcyclohex-3-ene-1-carboxylic acid
SMILESCC1=CC[C@H](C(=O)O)CC1
InChIInChI=1S/C8H12O2/c1-6-2-4-7(5-3-6)8(9)10/h2,7H,3-5H2,1H3,(H,9,10)/t7-/m0/s1
InChIKeyOYOQOLNBTPTFEM-ZETCQYMHSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-methylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R)-4-methylcyclohex-3-ene-1-carboxylic acid (CID 11040781) is (1R)-4-methylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R)-4-methylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R)-4-methylcyclohex-3-ene-1-carboxylic acid is CC1=CC[C@H](C(=O)O)CC1.
What is the InChIKey of (1R)-4-methylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is OYOQOLNBTPTFEM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-2-4-7(5-3-6)8(9)10/h2,7H,3-5H2,1H3,(H,9,10)/t7-/m0/s1.
What are the key properties of (1R)-4-methylcyclohex-3-ene-1-carboxylic acid?
(1R)-4-methylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 140.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 11040781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).