1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene

C24H35Cl — CID 19380347

IUPAC1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene
SMILESC=CCCC1CCC(C2CCC(CCc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C24H35Cl/c1-2-3-4-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-6-21-11-17-24(25)18-12-21/h2,11-12,17-20,22-23H,1,3-10,13-16H2
InChIKeyZUTXOCPCMZVXFG-UHFFFAOYSA-N
MW359.00 g/mol
LogP7.85
Rot. Bonds7

About 1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene

1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene (PubChem CID 19380347) has the molecular formula C24H35Cl and a molecular weight of 359.00 g/mol. Its IUPAC name is 1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene
PubChem CID19380347
Molecular FormulaC24H35Cl
Molecular Weight359.00 g/mol
Exact Mass358.24
IUPAC Name1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene
SMILESC=CCCC1CCC(C2CCC(CCc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C24H35Cl/c1-2-3-4-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-6-21-11-17-24(25)18-12-21/h2,11-12,17-20,22-23H,1,3-10,13-16H2
InChIKeyZUTXOCPCMZVXFG-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.00
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]oxymethyl]-4-chlorobenzene
CID 19380443
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708
2-but-3-enyl-6-[4-(4-chlorophenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867610
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
1-[(2R)-1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]propan-2-yl]-4-propylbenzene
CID 139753529
2-[4-[4-[2-(4-chlorophenyl)ethyl]cyclohexyl]cyclohexyl]but-2-enoic acid
CID 67649057
2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862828
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
1-but-3-enyl-4-[2-[4-(3,3-difluoro-4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 130352097
4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-chloro-2-fluorobenzene
CID 139724795
1,2,3-trifluoro-5-[2-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54125940
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene?
The IUPAC name of 1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene (CID 19380347) is 1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene.
What is the SMILES notation for 1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene?
The canonical SMILES for 1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene is C=CCCC1CCC(C2CCC(CCc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene?
The InChIKey is ZUTXOCPCMZVXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35Cl/c1-2-3-4-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-6-21-11-17-24(25)18-12-21/h2,11-12,17-20,22-23H,1,3-10,13-16H2.
What are the key properties of 1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene?
1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene has a molecular weight of 359.00 g/mol, XLogP of 7.85, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene is sourced from PubChem (CID 19380347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).