(1S)-cyclohex-3-ene-1-carbaldehyde

C7H10O — CID 5325868

IUPAC(1S)-cyclohex-3-ene-1-carbaldehyde
SMILESO=C[C@@H]1CC=CCC1
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2/t7-/m1/s1
InChIKeyDCFDVJPDXYGCOK-SSDOTTSWSA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds1

About (1S)-cyclohex-3-ene-1-carbaldehyde

(1S)-cyclohex-3-ene-1-carbaldehyde (PubChem CID 5325868) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (1S)-cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1S)-cyclohex-3-ene-1-carbaldehyde
PubChem CID5325868
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(1S)-cyclohex-3-ene-1-carbaldehyde
SMILESO=C[C@@H]1CC=CCC1
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2/t7-/m1/s1
InChIKeyDCFDVJPDXYGCOK-SSDOTTSWSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
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'}

Analyze (1S)-cyclohex-3-ene-1-carbaldehyde 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

3-Cyclohexene-1-carboxaldehyde
CID 7508
Ivy carbaldehyde
CID 3034463
1-Vinyl-3-cyclohexenecarbaldehyde
CID 89525526
6-Methyl-3-cyclohexene-1-carboxaldehyde
CID 101550
3-Cyclohexene-1-carboxaldehyde, 4-methyl-
CID 111012
4-(1-Methylethyl)-1-cyclohexene-4-carboxaldehyde
CID 124202117
3,6-Dimethyl-3-cyclohexene carboxaldehyde
CID 95644
3-Cyclohexene-1-propanal
CID 90847
3,5-Dimethyl-3-cyclohexene carboxaldehyde
CID 97854
Cyclohex-2-enecarbaldehyde
CID 10931390
Cyclopent-3-ene-1-carbaldehyde
CID 5314123
2,6-Dimethyl-3-cyclohexene-1-carbaldehyde
CID 228010

Frequently Asked Questions

What is the IUPAC name of (1S)-cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1S)-cyclohex-3-ene-1-carbaldehyde (CID 5325868) is (1S)-cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1S)-cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1S)-cyclohex-3-ene-1-carbaldehyde is O=C[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-cyclohex-3-ene-1-carbaldehyde?
The InChIKey is DCFDVJPDXYGCOK-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2/t7-/m1/s1.
What are the key properties of (1S)-cyclohex-3-ene-1-carbaldehyde?
(1S)-cyclohex-3-ene-1-carbaldehyde has a molecular weight of 110.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 5325868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).