1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene

C24H38O — CID 70371997

IUPAC1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(CCC2CCC(CCCCCCC)CC2)cc1
InChIInChI=1S/C24H38O/c1-3-5-6-7-8-9-21-10-12-22(13-11-21)14-15-23-16-18-24(19-17-23)25-20-4-2/h4,16-19,21-22H,2-3,5-15,20H2,1H3
InChIKeyMISVSXJWNKIUKT-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.35
Rot. Bonds12

About 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene

1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene (PubChem CID 70371997) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene
PubChem CID70371997
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(CCC2CCC(CCCCCCC)CC2)cc1
InChIInChI=1S/C24H38O/c1-3-5-6-7-8-9-21-10-12-22(13-11-21)14-15-23-16-18-24(19-17-23)25-20-4-2/h4,16-19,21-22H,2-3,5-15,20H2,1H3
InChIKeyMISVSXJWNKIUKT-UHFFFAOYSA-N
XLogP7.35
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 ≤ 57.35
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'}

Analyze 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
1-butoxy-4-[2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 67865149
1-[2-(4-decylcyclohexyl)ethyl]-4-[2-(4-prop-2-enylphenyl)ethynyl]benzene
CID 139787890
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-[2-(4-decylcyclohexyl)ethyl]-4-[2-(4-oct-7-enylphenyl)ethynyl]benzene
CID 139787889
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
1-[3-(4-nonylcyclohexyl)propoxy]-4-[4-[3-(4-nonylcyclohexyl)propoxy]phenyl]benzene
CID 19738837
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene?
The IUPAC name of 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene (CID 70371997) is 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene?
The canonical SMILES for 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene is C=CCOc1ccc(CCC2CCC(CCCCCCC)CC2)cc1.
What is the InChIKey of 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene?
The InChIKey is MISVSXJWNKIUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O/c1-3-5-6-7-8-9-21-10-12-22(13-11-21)14-15-23-16-18-24(19-17-23)25-20-4-2/h4,16-19,21-22H,2-3,5-15,20H2,1H3.
What are the key properties of 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene?
1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene has a molecular weight of 342.57 g/mol, XLogP of 7.35, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-heptylcyclohexyl)ethyl]-4-prop-2-enoxybenzene is sourced from PubChem (CID 70371997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).