2-cyclohex-2-en-1-ylacetaldehyde

C8H12O — CID 11083889

IUPAC2-cyclohex-2-en-1-ylacetaldehyde
SMILESO=CCC1C=CCCC1
InChIInChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h2,4,7-8H,1,3,5-6H2
InChIKeyNHIXWDCCYHGFMD-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds2

About 2-cyclohex-2-en-1-ylacetaldehyde

2-cyclohex-2-en-1-ylacetaldehyde (PubChem CID 11083889) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylacetaldehyde.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylacetaldehyde
PubChem CID11083889
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-cyclohex-2-en-1-ylacetaldehyde
SMILESO=CCC1C=CCCC1
InChIInChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h2,4,7-8H,1,3,5-6H2
InChIKeyNHIXWDCCYHGFMD-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Citronellal
CID 7794
Perillaldehyde
CID 16441
6-Octenal, 3,7-dimethyl-, (3R)-
CID 75427
3-Cyclohexene-1-carboxaldehyde
CID 7508
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
CID 93199
1-p-Menthen-9-al
CID 520440
Perillaldehyde, (-)-
CID 2724159
(S)-(-)-Citronellal
CID 443157
Vertonal
CID 101150
2,4-Dimethyl-3-cyclohexene carboxaldehyde
CID 93375
3-Cyclohexene-1-propanal, beta,4-dimethyl-
CID 110923
2,6,10-Trimethyl-9-undecenal
CID 98403

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-ylacetaldehyde?
The IUPAC name of 2-cyclohex-2-en-1-ylacetaldehyde (CID 11083889) is 2-cyclohex-2-en-1-ylacetaldehyde.
What is the SMILES notation for 2-cyclohex-2-en-1-ylacetaldehyde?
The canonical SMILES for 2-cyclohex-2-en-1-ylacetaldehyde is O=CCC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-ylacetaldehyde?
The InChIKey is NHIXWDCCYHGFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h2,4,7-8H,1,3,5-6H2.
What are the key properties of 2-cyclohex-2-en-1-ylacetaldehyde?
2-cyclohex-2-en-1-ylacetaldehyde has a molecular weight of 124.18 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-ylacetaldehyde is sourced from PubChem (CID 11083889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).