acetic acid;(1S)-cyclohex-2-en-1-ol

C8H14O3 — CID 71388336

IUPACacetic acid;(1S)-cyclohex-2-en-1-ol
SMILESCC(=O)O.O[C@@H]1C=CCCC1
InChIInChI=1S/C6H10O.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h2,4,6-7H,1,3,5H2;1H3,(H,3,4)/t6-;/m1./s1
InChIKeyYEMMTZJOLPVNLJ-FYZOBXCZSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds

About acetic acid;(1S)-cyclohex-2-en-1-ol

acetic acid;(1S)-cyclohex-2-en-1-ol (PubChem CID 71388336) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is acetic acid;(1S)-cyclohex-2-en-1-ol.

Molecular Properties

Compound Nameacetic acid;(1S)-cyclohex-2-en-1-ol
PubChem CID71388336
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameacetic acid;(1S)-cyclohex-2-en-1-ol
SMILESCC(=O)O.O[C@@H]1C=CCCC1
InChIInChI=1S/C6H10O.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h2,4,6-7H,1,3,5H2;1H3,(H,3,4)/t6-;/m1./s1
InChIKeyYEMMTZJOLPVNLJ-FYZOBXCZSA-N
XLogP1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetic acid;(1S)-cyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-cyclohex-2-en-1-ol;titanium
CID 162397181
cyclohex-2-en-1-ol;furan
CID 70501172
(1S)-cyclopent-2-en-1-ol
CID 11789128
acetic acid;cyclohexene
CID 20501047
cyclonon-2-en-1-ol;nitric acid
CID 71400030
(4Z)-6-hydroxycyclooct-4-ene-1-carboxylic acid
CID 121291315
(1S,4Z,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1S,4E,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid);(1R,4Z,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1R,4E,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid)
CID 167557842
acetic acid;cyclooct-3-en-1-ol
CID 71356178
CID 173230696
CID 173230696
alumane;cyclohex-2-ene-1-carboxylic acid
CID 173230504
acetic acid;(1R,3R)-cyclopent-4-ene-1,3-diol
CID 71400880
cyclohex-2-en-1-yl acetate;methane
CID 159882311

Frequently Asked Questions

What is the IUPAC name of acetic acid;(1S)-cyclohex-2-en-1-ol?
The IUPAC name of acetic acid;(1S)-cyclohex-2-en-1-ol (CID 71388336) is acetic acid;(1S)-cyclohex-2-en-1-ol.
What is the SMILES notation for acetic acid;(1S)-cyclohex-2-en-1-ol?
The canonical SMILES for acetic acid;(1S)-cyclohex-2-en-1-ol is CC(=O)O.O[C@@H]1C=CCCC1.
What is the InChIKey of acetic acid;(1S)-cyclohex-2-en-1-ol?
The InChIKey is YEMMTZJOLPVNLJ-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H10O.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h2,4,6-7H,1,3,5H2;1H3,(H,3,4)/t6-;/m1./s1.
What are the key properties of acetic acid;(1S)-cyclohex-2-en-1-ol?
acetic acid;(1S)-cyclohex-2-en-1-ol has a molecular weight of 158.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(1S)-cyclohex-2-en-1-ol is sourced from PubChem (CID 71388336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).