1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde

C12H14O — CID 71358238

IUPAC1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(C2=CCCC2)C=CC=CC1
InChIInChI=1S/C12H14O/c13-10-12(8-4-1-5-9-12)11-6-2-3-7-11/h1,4-6,8,10H,2-3,7,9H2
InChIKeyKESIZRXXVRWHEH-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.80
Rot. Bonds2

About 1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde

1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 71358238) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde
PubChem CID71358238
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1(C2=CCCC2)C=CC=CC1
InChIInChI=1S/C12H14O/c13-10-12(8-4-1-5-9-12)11-6-2-3-7-11/h1,4-6,8,10H,2-3,7,9H2
InChIKeyKESIZRXXVRWHEH-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.80
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

1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
CID 106684
2-Methyl-4-(2,6,6-trimethylcyclohex-2-EN-1-YL)butanal
CID 175482
Cyclohexenebutanal, alpha,2,2,6-tetramethyl-
CID 103381
3-Cyclopentene-1-butanal, alpha,2,2,3-tetramethyl-gamma-methylene-
CID 21467047
1-Cyclohexene-1-propanal, 4,4-dimethyl-
CID 22336879
3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-3-penten-1-yl)-
CID 95596
Precyclemone B
CID 103648
3-Cyclopentene-1-butanal, alpha,2,2,3-tetramethyl-
CID 6455034
13,14-Dihydroretinal
CID 11369677
6-Methyl-4,6-bis(4-methylpent-3-en-1-yl)cyclohexa-1,3-dienecarbaldehyde
CID 11346708
(6R)-6-methyl-4,6-bis(4-methylpent-3-enyl)cyclohexa-1,3-diene-1-carbaldehyde
CID 163020057
2-Methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enal
CID 122557

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde (CID 71358238) is 1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde is O=CC1(C2=CCCC2)C=CC=CC1.
What is the InChIKey of 1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is KESIZRXXVRWHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-10-12(8-4-1-5-9-12)11-6-2-3-7-11/h1,4-6,8,10H,2-3,7,9H2.
What are the key properties of 1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde?
1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 174.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)cyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 71358238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).