2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde

C15H26O — CID 88851779

IUPAC2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
SMILESCC1CCC(C2CCCCC2C=O)CC1C
InChIInChI=1S/C15H26O/c1-11-7-8-13(9-12(11)2)15-6-4-3-5-14(15)10-16/h10-15H,3-9H2,1-2H3
InChIKeyFIXBHFLYSMOUSQ-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.06
Rot. Bonds2

About 2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde

2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde (PubChem CID 88851779) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
PubChem CID88851779
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde
SMILESCC1CCC(C2CCCCC2C=O)CC1C
InChIInChI=1S/C15H26O/c1-11-7-8-13(9-12(11)2)15-6-4-3-5-14(15)10-16/h10-15H,3-9H2,1-2H3
InChIKeyFIXBHFLYSMOUSQ-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.06
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-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde (CID 88851779) is 2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde is CC1CCC(C2CCCCC2C=O)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde?
The InChIKey is FIXBHFLYSMOUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-7-8-13(9-12(11)2)15-6-4-3-5-14(15)10-16/h10-15H,3-9H2,1-2H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde?
2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde has a molecular weight of 222.37 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88851779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).