2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde

C18H32O — CID 88959696

IUPAC2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
SMILESCC1CC(C)CC(CCCC2CCCCC2C=O)C1
InChIInChI=1S/C18H32O/c1-14-10-15(2)12-16(11-14)6-5-9-17-7-3-4-8-18(17)13-19/h13-18H,3-12H2,1-2H3
InChIKeyWBSIQGNNXSIBIX-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.23
Rot. Bonds5

About 2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde

2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde (PubChem CID 88959696) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
PubChem CID88959696
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
SMILESCC1CC(C)CC(CCCC2CCCCC2C=O)C1
InChIInChI=1S/C18H32O/c1-14-10-15(2)12-16(11-14)6-5-9-17-7-3-4-8-18(17)13-19/h13-18H,3-12H2,1-2H3
InChIKeyWBSIQGNNXSIBIX-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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Related Compounds

2-[7-(3-methylcyclohexyl)heptyl]cyclohexane-1-carbaldehyde
CID 88959726
2-[3-(2,6-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde
CID 88959857
trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
CID 131854449
2-[7-(2,6-dimethylcyclohexyl)heptyl]cyclohexane-1-carbaldehyde
CID 88960006
2-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88959727
3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960047
2-(hydroxymethyl)cyclohexane-1-carbaldehyde
CID 13194685
2-(hydroxymethyl)cyclododecane-1-carbaldehyde
CID 54076682
3-pentylcyclohexane-1,2-dicarbaldehyde
CID 91238755
1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
CID 173282196
3-methyl-5-(4-oxobutyl)cyclohexane-1-carboxylic acid
CID 174958077
3-(3-methylcyclobutyl)propan-1-amine
CID 119055095

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde (CID 88959696) is 2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde is CC1CC(C)CC(CCCC2CCCCC2C=O)C1.
What is the InChIKey of 2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde?
The InChIKey is WBSIQGNNXSIBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-14-10-15(2)12-16(11-14)6-5-9-17-7-3-4-8-18(17)13-19/h13-18H,3-12H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde?
2-[3-(3,5-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-(3,5-dimethylcyclohexyl)propyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88959696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).