acetic acid;cyclohexene

C8H14O2 — CID 20501047

IUPACacetic acid;cyclohexene
SMILESC1=CCCCC1.CC(=O)O
InChIInChI=1S/C6H10.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h1-2H,3-6H2;1H3,(H,3,4)
InChIKeyCPESXDXXTZIARE-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.21
Rot. Bonds

About acetic acid;cyclohexene

acetic acid;cyclohexene (PubChem CID 20501047) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is acetic acid;cyclohexene.

Molecular Properties

Compound Nameacetic acid;cyclohexene
PubChem CID20501047
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameacetic acid;cyclohexene
SMILESC1=CCCCC1.CC(=O)O
InChIInChI=1S/C6H10.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h1-2H,3-6H2;1H3,(H,3,4)
InChIKeyCPESXDXXTZIARE-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetic acid;cyclohexene 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

acetic acid;cycloocta-1,3-diene;rhodium
CID 173076417
cyclohexene;bis(2-methylprop-2-enoic acid)
CID 67655810
carbonic acid;cyclooctene
CID 161186055
acetic acid;cyclooct-3-en-1-ol
CID 71356178
cyclohexene carbonate
CID 22338323
(1E,7E)-cyclododeca-1,7-diene
CID 6477773
cyclodeca-1,3,5-triene;2-methylprop-2-enoic acid
CID 77225013
cyclohexene;2-methylprop-2-enal
CID 88803790
acetic acid;cyclobutane;phosphane
CID 174489906
CID 159956237
CID 159956237
acetic acid;(1S)-cyclohex-2-en-1-ol
CID 71388336
acetaldehyde;cyclohexene
CID 87322239

Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclohexene?
The IUPAC name of acetic acid;cyclohexene (CID 20501047) is acetic acid;cyclohexene.
What is the SMILES notation for acetic acid;cyclohexene?
The canonical SMILES for acetic acid;cyclohexene is C1=CCCCC1.CC(=O)O.
What is the InChIKey of acetic acid;cyclohexene?
The InChIKey is CPESXDXXTZIARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C2H4O2/c1-2-4-6-5-3-1;1-2(3)4/h1-2H,3-6H2;1H3,(H,3,4).
What are the key properties of acetic acid;cyclohexene?
acetic acid;cyclohexene has a molecular weight of 142.20 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclohexene is sourced from PubChem (CID 20501047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).