2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde

C18H32O — CID 88959857

IUPAC2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
SMILESCC1CCCC(C)C1CCCC1CCCCC1C=O
InChIInChI=1S/C18H32O/c1-14-7-5-8-15(2)18(14)12-6-11-16-9-3-4-10-17(16)13-19/h13-18H,3-12H2,1-2H3
InChIKeyGRCZEJGASDLDKU-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.23
Rot. Bonds5

About 2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde

2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde (PubChem CID 88959857) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
PubChem CID88959857
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
SMILESCC1CCCC(C)C1CCCC1CCCCC1C=O
InChIInChI=1S/C18H32O/c1-14-7-5-8-15(2)18(14)12-6-11-16-9-3-4-10-17(16)13-19/h13-18H,3-12H2,1-2H3
InChIKeyGRCZEJGASDLDKU-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.23
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-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde (CID 88959857) is 2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde is CC1CCCC(C)C1CCCC1CCCCC1C=O.
What is the InChIKey of 2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde?
The InChIKey is GRCZEJGASDLDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-14-7-5-8-15(2)18(14)12-6-11-16-9-3-4-10-17(16)13-19/h13-18H,3-12H2,1-2H3.
What are the key properties of 2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde?
2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde has a molecular weight of 264.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88959857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).