2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde

C11H16O — CID 13353337

IUPAC2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde
SMILESCC(C)=CC1=C(C=O)CCCC1
InChIInChI=1S/C11H16O/c1-9(2)7-10-5-3-4-6-11(10)8-12/h7-8H,3-6H2,1-2H3
InChIKeyGQUWMKBSAPPVIW-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.02
Rot. Bonds2

About 2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde

2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde (PubChem CID 13353337) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde
PubChem CID13353337
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde
SMILESCC(C)=CC1=C(C=O)CCCC1
InChIInChI=1S/C11H16O/c1-9(2)7-10-5-3-4-6-11(10)8-12/h7-8H,3-6H2,1-2H3
InChIKeyGQUWMKBSAPPVIW-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde?
The IUPAC name of 2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde (CID 13353337) is 2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde.
What is the SMILES notation for 2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde?
The canonical SMILES for 2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde is CC(C)=CC1=C(C=O)CCCC1.
What is the InChIKey of 2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde?
The InChIKey is GQUWMKBSAPPVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9(2)7-10-5-3-4-6-11(10)8-12/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde?
2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde has a molecular weight of 164.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)cyclohexene-1-carbaldehyde is sourced from PubChem (CID 13353337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).