1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene

C24H36O — CID 54492468

IUPAC1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene
SMILESCCc1ccc(C2CCC(C3CCC(C=CCOC)CC3)CC2)cc1
InChIInChI=1S/C24H36O/c1-3-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-4-18-25-2/h4-7,10-11,20,22-24H,3,8-9,12-18H2,1-2H3
InChIKeyXWRWXPJRFLUZNS-UHFFFAOYSA-N
MW340.55 g/mol
LogP6.53
Rot. Bonds6

About 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene

1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene (PubChem CID 54492468) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene
PubChem CID54492468
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Name1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene
SMILESCCc1ccc(C2CCC(C3CCC(C=CCOC)CC3)CC2)cc1
InChIInChI=1S/C24H36O/c1-3-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-4-18-25-2/h4-7,10-11,20,22-24H,3,8-9,12-18H2,1-2H3
InChIKeyXWRWXPJRFLUZNS-UHFFFAOYSA-N
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene 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-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836
1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene
CID 19097942
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-(pent-2-enoxymethyl)benzene
CID 54028564
1-(but-2-enoxymethyl)-4-[4-(4-pent-1-enylcyclohexyl)cyclohexyl]benzene
CID 54484831
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 59638896
4-[4-[4-[(E)-3-ethoxyprop-1-enyl]cyclohexyl]cyclohexyl]benzonitrile
CID 19097907
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19780938
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
5-[4-[4-(4-ethylphenyl)cyclohexyl]cyclohexyl]-2-fluoropenta-2,4-dienenitrile
CID 54232791
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
(4-bromophenyl) 4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzoate
CID 67822196
1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 67677413

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene (CID 54492468) is 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene is CCc1ccc(C2CCC(C3CCC(C=CCOC)CC3)CC2)cc1.
What is the InChIKey of 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene?
The InChIKey is XWRWXPJRFLUZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O/c1-3-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(9-13-22)5-4-18-25-2/h4-7,10-11,20,22-24H,3,8-9,12-18H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene?
1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene has a molecular weight of 340.55 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 54492468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).