cyclohex-3-ene-1-carbaldehyde

C7H10O — CID 7508

IUPACcyclohex-3-ene-1-carbaldehyde
SMILESO=CC1CC=CCC1
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2
InChIKeyDCFDVJPDXYGCOK-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds1

About cyclohex-3-ene-1-carbaldehyde

cyclohex-3-ene-1-carbaldehyde (PubChem CID 7508) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Namecyclohex-3-ene-1-carbaldehyde
PubChem CID7508
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namecyclohex-3-ene-1-carbaldehyde
SMILESO=CC1CC=CCC1
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2
InChIKeyDCFDVJPDXYGCOK-UHFFFAOYSA-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'}

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Related Compounds

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
Cyclopent-2-en-1-ylacetaldehyde
CID 274427

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-ene-1-carbaldehyde?
The IUPAC name of cyclohex-3-ene-1-carbaldehyde (CID 7508) is cyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for cyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for cyclohex-3-ene-1-carbaldehyde is O=CC1CC=CCC1.
What is the InChIKey of cyclohex-3-ene-1-carbaldehyde?
The InChIKey is DCFDVJPDXYGCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2.
What are the key properties of cyclohex-3-ene-1-carbaldehyde?
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 cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 7508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).