4-(4-propylcyclohexyl)benzaldehyde

C16H22O — CID 14573359

IUPAC4-(4-propylcyclohexyl)benzaldehyde
SMILESCCCC1CCC(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C16H22O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-13,15H,2-5,8-9H2,1H3
InChIKeyYFVRUGGMSVPAPA-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.57
Rot. Bonds4

About 4-(4-propylcyclohexyl)benzaldehyde

4-(4-propylcyclohexyl)benzaldehyde (PubChem CID 14573359) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(4-propylcyclohexyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-propylcyclohexyl)benzaldehyde
PubChem CID14573359
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-(4-propylcyclohexyl)benzaldehyde
SMILESCCCC1CCC(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C16H22O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-13,15H,2-5,8-9H2,1H3
InChIKeyYFVRUGGMSVPAPA-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.57
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

1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
4-(4-tert-butylcyclohexyl)benzaldehyde
CID 117363264
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
(4-propylcyclohexyl)benzene
CID 155887669
pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane
CID 25197320
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylcyclohexyl)benzaldehyde?
The IUPAC name of 4-(4-propylcyclohexyl)benzaldehyde (CID 14573359) is 4-(4-propylcyclohexyl)benzaldehyde.
What is the SMILES notation for 4-(4-propylcyclohexyl)benzaldehyde?
The canonical SMILES for 4-(4-propylcyclohexyl)benzaldehyde is CCCC1CCC(c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-(4-propylcyclohexyl)benzaldehyde?
The InChIKey is YFVRUGGMSVPAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-13,15H,2-5,8-9H2,1H3.
What are the key properties of 4-(4-propylcyclohexyl)benzaldehyde?
4-(4-propylcyclohexyl)benzaldehyde has a molecular weight of 230.35 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylcyclohexyl)benzaldehyde is sourced from PubChem (CID 14573359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).