1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde

C11H16O — CID 130697908

IUPAC1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde
SMILESO=CC1(C2C=CCCC2)CCC1
InChIInChI=1S/C11H16O/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h2,5,9-10H,1,3-4,6-8H2
InChIKeyJBEYTKIKXFKLLW-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.71
Rot. Bonds2

About 1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde

1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde (PubChem CID 130697908) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde
PubChem CID130697908
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde
SMILESO=CC1(C2C=CCCC2)CCC1
InChIInChI=1S/C11H16O/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h2,5,9-10H,1,3-4,6-8H2
InChIKeyJBEYTKIKXFKLLW-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid
CID 114620507
1-cyclopropylcyclopentane-1-carbaldehyde
CID 131143275
1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid
CID 114620874
1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid
CID 114620879
1-(2-hydroxycyclopentyl)cyclopropane-1-carbaldehyde
CID 130646380
2-acetyl-2-cyclohex-2-en-1-ylcyclopentan-1-one
CID 86092713
4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one
CID 67125631
1-cyclohexylcyclohexane-1-carbaldehyde
CID 21479214
(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
bicyclo[2.2.0]hexane-1-carbaldehyde
CID 534324
1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde
CID 130700511
1-cyclobutyl-4-methylcyclohexane-1-carbaldehyde
CID 131027775

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde?
The IUPAC name of 1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde (CID 130697908) is 1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde?
The canonical SMILES for 1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde is O=CC1(C2C=CCCC2)CCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde?
The InChIKey is JBEYTKIKXFKLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h2,5,9-10H,1,3-4,6-8H2.
What are the key properties of 1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde?
1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde has a molecular weight of 164.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylcyclobutane-1-carbaldehyde is sourced from PubChem (CID 130697908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).