2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde

C18H26O — CID 88539947

IUPAC2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde
SMILESCCCC1CCC(CCc2ccccc2C=O)CC1
InChIInChI=1S/C18H26O/c1-2-5-15-8-10-16(11-9-15)12-13-17-6-3-4-7-18(17)14-19/h3-4,6-7,14-16H,2,5,8-13H2,1H3
InChIKeyUYELQATVHNCJRY-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.04
Rot. Bonds6

About 2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde

2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde (PubChem CID 88539947) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde
PubChem CID88539947
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde
SMILESCCCC1CCC(CCc2ccccc2C=O)CC1
InChIInChI=1S/C18H26O/c1-2-5-15-8-10-16(11-9-15)12-13-17-6-3-4-7-18(17)14-19/h3-4,6-7,14-16H,2,5,8-13H2,1H3
InChIKeyUYELQATVHNCJRY-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.04
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-(2,2-dimethylpropyl)benzaldehyde
CID 10103697
2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde
CID 54108887
2-butylbenzaldehyde;terephthalaldehyde
CID 174801051
2-[4-(4-butylphenyl)butyl]benzaldehyde
CID 19847933
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
CID 67782354
[2-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanol
CID 67589160
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
CID 141394597
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
(4-propylcyclohexyl)benzene
CID 155887669
2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde
CID 165493057
2-(cyclohexylmethoxymethyl)benzaldehyde
CID 91656697

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde?
The IUPAC name of 2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde (CID 88539947) is 2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde.
What is the SMILES notation for 2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde?
The canonical SMILES for 2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde is CCCC1CCC(CCc2ccccc2C=O)CC1.
What is the InChIKey of 2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde?
The InChIKey is UYELQATVHNCJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-2-5-15-8-10-16(11-9-15)12-13-17-6-3-4-7-18(17)14-19/h3-4,6-7,14-16H,2,5,8-13H2,1H3.
What are the key properties of 2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde?
2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde has a molecular weight of 258.40 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propylcyclohexyl)ethyl]benzaldehyde is sourced from PubChem (CID 88539947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).