2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde

C13H20O — CID 23219118

IUPAC2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde
SMILESCC(C)=CCCC1=C(C=O)CCCC1
InChIInChI=1S/C13H20O/c1-11(2)6-5-9-12-7-3-4-8-13(12)10-14/h6,10H,3-5,7-9H2,1-2H3
InChIKeyZJZOLSQPHYEYOB-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.80
Rot. Bonds4

About 2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde

2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde (PubChem CID 23219118) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde
PubChem CID23219118
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde
SMILESCC(C)=CCCC1=C(C=O)CCCC1
InChIInChI=1S/C13H20O/c1-11(2)6-5-9-12-7-3-4-8-13(12)10-14/h6,10H,3-5,7-9H2,1-2H3
InChIKeyZJZOLSQPHYEYOB-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.80
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde?
The IUPAC name of 2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde (CID 23219118) is 2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde.
What is the SMILES notation for 2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde?
The canonical SMILES for 2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde is CC(C)=CCCC1=C(C=O)CCCC1.
What is the InChIKey of 2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde?
The InChIKey is ZJZOLSQPHYEYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11(2)6-5-9-12-7-3-4-8-13(12)10-14/h6,10H,3-5,7-9H2,1-2H3.
What are the key properties of 2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde?
2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde has a molecular weight of 192.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-3-enyl)cyclohexene-1-carbaldehyde is sourced from PubChem (CID 23219118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).