4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde

C20H30O — CID 54105713

IUPAC4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde
SMILESCCCc1ccc(CCCCC2CCC(C=O)CC2)cc1
InChIInChI=1S/C20H30O/c1-2-5-17-8-10-18(11-9-17)6-3-4-7-19-12-14-20(16-21)15-13-19/h8-11,16,19-20H,2-7,12-15H2,1H3
InChIKeyNDPOPJOETAOYGC-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.36
Rot. Bonds8

About 4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde

4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde (PubChem CID 54105713) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde
PubChem CID54105713
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde
SMILESCCCc1ccc(CCCCC2CCC(C=O)CC2)cc1
InChIInChI=1S/C20H30O/c1-2-5-17-8-10-18(11-9-17)6-3-4-7-19-12-14-20(16-21)15-13-19/h8-11,16,19-20H,2-7,12-15H2,1H3
InChIKeyNDPOPJOETAOYGC-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 20633982
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene
CID 173321823
1-[6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]-4-propylbenzene
CID 54369370
4-cyclopropylbutylbenzene
CID 10261592
4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960037
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde (CID 54105713) is 4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde is CCCc1ccc(CCCCC2CCC(C=O)CC2)cc1.
What is the InChIKey of 4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde?
The InChIKey is NDPOPJOETAOYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-2-5-17-8-10-18(11-9-17)6-3-4-7-19-12-14-20(16-21)15-13-19/h8-11,16,19-20H,2-7,12-15H2,1H3.
What are the key properties of 4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde?
4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde has a molecular weight of 286.46 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propylphenyl)butyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 54105713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).