(1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid

C10H16O2 — CID 130705827

IUPAC(1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid
SMILESCC1=C(C)C[C@](C)(C(=O)O)CC1
InChIInChI=1S/C10H16O2/c1-7-4-5-10(3,9(11)12)6-8(7)2/h4-6H2,1-3H3,(H,11,12)/t10-/m1/s1
InChIKeyILXPJTVEWOMNRB-SNVBAGLBSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds1

About (1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid

(1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid (PubChem CID 130705827) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid
PubChem CID130705827
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid
SMILESCC1=C(C)C[C@](C)(C(=O)O)CC1
InChIInChI=1S/C10H16O2/c1-7-4-5-10(3,9(11)12)6-8(7)2/h4-6H2,1-3H3,(H,11,12)/t10-/m1/s1
InChIKeyILXPJTVEWOMNRB-SNVBAGLBSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
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)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid (CID 130705827) is (1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid is CC1=C(C)C[C@](C)(C(=O)O)CC1.
What is the InChIKey of (1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is ILXPJTVEWOMNRB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-4-5-10(3,9(11)12)6-8(7)2/h4-6H2,1-3H3,(H,11,12)/t10-/m1/s1.
What are the key properties of (1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid?
(1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 130705827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).