1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene

C24H38O — CID 18649527

IUPAC1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene
SMILESC=CCOCc1ccc(C2CCC(CCCCCCCC)CC2)cc1
InChIInChI=1S/C24H38O/c1-3-5-6-7-8-9-10-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-25-19-4-2/h4,13-14,17-18,21,23H,2-3,5-12,15-16,19-20H2,1H3
InChIKeyABJHXKIGNCVZGN-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.41
Rot. Bonds12

About 1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene

1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene (PubChem CID 18649527) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene.

Molecular Properties

Compound Name1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene
PubChem CID18649527
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene
SMILESC=CCOCc1ccc(C2CCC(CCCCCCCC)CC2)cc1
InChIInChI=1S/C24H38O/c1-3-5-6-7-8-9-10-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-25-19-4-2/h4,13-14,17-18,21,23H,2-3,5-12,15-16,19-20H2,1H3
InChIKeyABJHXKIGNCVZGN-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325

Frequently Asked Questions

What is the IUPAC name of 1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene?
The IUPAC name of 1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene (CID 18649527) is 1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene.
What is the SMILES notation for 1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene?
The canonical SMILES for 1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene is C=CCOCc1ccc(C2CCC(CCCCCCCC)CC2)cc1.
What is the InChIKey of 1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene?
The InChIKey is ABJHXKIGNCVZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O/c1-3-5-6-7-8-9-10-21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-25-19-4-2/h4,13-14,17-18,21,23H,2-3,5-12,15-16,19-20H2,1H3.
What are the key properties of 1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene?
1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene has a molecular weight of 342.57 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene is sourced from PubChem (CID 18649527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).