(3S)-3-ethylcyclohexene-1-carboxylic acid

C9H14O2 — CID 159993912

IUPAC(3S)-3-ethylcyclohexene-1-carboxylic acid
SMILESCC[C@@H]1C=C(C(=O)O)CCC1
InChIInChI=1S/C9H14O2/c1-2-7-4-3-5-8(6-7)9(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyPWYUHBNJQDDLHF-ZETCQYMHSA-N
MW154.21 g/mol
LogP2.21
Rot. Bonds2

About (3S)-3-ethylcyclohexene-1-carboxylic acid

(3S)-3-ethylcyclohexene-1-carboxylic acid (PubChem CID 159993912) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3S)-3-ethylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-ethylcyclohexene-1-carboxylic acid
PubChem CID159993912
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3S)-3-ethylcyclohexene-1-carboxylic acid
SMILESCC[C@@H]1C=C(C(=O)O)CCC1
InChIInChI=1S/C9H14O2/c1-2-7-4-3-5-8(6-7)9(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyPWYUHBNJQDDLHF-ZETCQYMHSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3E,5E,8Z)-3,7,11-trimethyldodeca-3,5,8-trienyl]cyclohexene-1-carboxylic acid
CID 10496680
3-methylcyclopentene-1-carboxylic acid
CID 12779737
3-ethyl-1-prop-1-en-2-ylcyclopentene
CID 90736766
4-methylcycloheptene-1-carboxylic acid
CID 174263843
ethyl (3S)-3-aminocyclohexene-1-carboxylate
CID 153367681
(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid
CID 118422918
3-(5-methylfuran-2-yl)cyclohexene-1-carboxylic acid
CID 122401965
(3S)-3-ethyl-1-phenylcycloheptene
CID 11194995
(1R,3R)-3-ethyl-5-methoxycarbonylcyclohept-4-ene-1-carboxylic acid
CID 10537228
ethyl (1E)-3-octylcyclooctene-1-carboxylate
CID 134872732
1-(3-ethylcyclobuten-1-yl)ethanone
CID 130027343
cyclopentene-1,3-dicarboxylic acid
CID 10866576

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethylcyclohexene-1-carboxylic acid?
The IUPAC name of (3S)-3-ethylcyclohexene-1-carboxylic acid (CID 159993912) is (3S)-3-ethylcyclohexene-1-carboxylic acid.
What is the SMILES notation for (3S)-3-ethylcyclohexene-1-carboxylic acid?
The canonical SMILES for (3S)-3-ethylcyclohexene-1-carboxylic acid is CC[C@@H]1C=C(C(=O)O)CCC1.
What is the InChIKey of (3S)-3-ethylcyclohexene-1-carboxylic acid?
The InChIKey is PWYUHBNJQDDLHF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-7-4-3-5-8(6-7)9(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (3S)-3-ethylcyclohexene-1-carboxylic acid?
(3S)-3-ethylcyclohexene-1-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 159993912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).