1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde

C12H20O — CID 130700511

IUPAC1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde
SMILESCC1CCC(C2(C=O)CCC2)CC1
InChIInChI=1S/C12H20O/c1-10-3-5-11(6-4-10)12(9-13)7-2-8-12/h9-11H,2-8H2,1H3
InChIKeyALBNLSZDPVWVQC-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.18
Rot. Bonds2

About 1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde

1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde (PubChem CID 130700511) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde
PubChem CID130700511
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde
SMILESCC1CCC(C2(C=O)CCC2)CC1
InChIInChI=1S/C12H20O/c1-10-3-5-11(6-4-10)12(9-13)7-2-8-12/h9-11H,2-8H2,1H3
InChIKeyALBNLSZDPVWVQC-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.18
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 1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde (CID 130700511) is 1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde is CC1CCC(C2(C=O)CCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde?
The InChIKey is ALBNLSZDPVWVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10-3-5-11(6-4-10)12(9-13)7-2-8-12/h9-11H,2-8H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde?
1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde has a molecular weight of 180.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 130700511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).