1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde

C10H12O — CID 91507539

IUPAC1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde
SMILESO=CC1(C2=CCCC=C2)CC1
InChIInChI=1S/C10H12O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h2,4-5,8H,1,3,6-7H2
InChIKeySVPFEMFJIDLIJQ-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.24
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde

1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde (PubChem CID 91507539) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde
PubChem CID91507539
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde
SMILESO=CC1(C2=CCCC=C2)CC1
InChIInChI=1S/C10H12O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h2,4-5,8H,1,3,6-7H2
InChIKeySVPFEMFJIDLIJQ-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexa-1,5-dien-1-ylcyclopropane-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

1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbonitrile
CID 149201129
(3-cyclohexa-1,5-dien-1-ylpyrrolidin-3-yl)methanimine;ethane
CID 142035450
2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane
CID 163422201
acetaldehyde;2-methylcyclohexa-1,3-diene
CID 144635088
1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol
CID 143189862
cyclohexa-1,5-dien-1-yl formate
CID 21076533
2,3,4,7-tetrahydroindene-3a-carbaldehyde
CID 14268500
ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene
CID 144774189
8-cyclohexa-1,5-dien-1-yl-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 144998255
(Z)-3-cyclohexa-1,5-dien-1-ylprop-2-enal
CID 143108050
(2S)-3-cyclohexa-1,5-dien-1-yl-2-methylpropanal
CID 144910636
1-phenylcyclopropane-1-carbaldehyde
CID 11008055

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde?
The IUPAC name of 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde (CID 91507539) is 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde is O=CC1(C2=CCCC=C2)CC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde?
The InChIKey is SVPFEMFJIDLIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h2,4-5,8H,1,3,6-7H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde?
1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde has a molecular weight of 148.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 91507539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).