1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene

C22H28Cl2 — CID 18656188

IUPAC1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene
SMILESCl/C=C/C1CCC(c2ccc(C3CCC(/C=C/Cl)CC3)cc2)CC1
InChIInChI=1S/C22H28Cl2/c23-15-13-17-1-5-19(6-2-17)21-9-11-22(12-10-21)20-7-3-18(4-8-20)14-16-24/h9-20H,1-8H2/b15-13+,16-14+
InChIKeyKVWAUIFYSHDCIL-WXUKJITCSA-N
MW363.37 g/mol
LogP7.74
Rot. Bonds4

About 1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene

1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene (PubChem CID 18656188) has the molecular formula C22H28Cl2 and a molecular weight of 363.37 g/mol. Its IUPAC name is 1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene
PubChem CID18656188
Molecular FormulaC22H28Cl2
Molecular Weight363.37 g/mol
Exact Mass362.16
IUPAC Name1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene
SMILESCl/C=C/C1CCC(c2ccc(C3CCC(/C=C/Cl)CC3)cc2)CC1
InChIInChI=1S/C22H28Cl2/c23-15-13-17-1-5-19(6-2-17)21-9-11-22(12-10-21)20-7-3-18(4-8-20)14-16-24/h9-20H,1-8H2/b15-13+,16-14+
InChIKeyKVWAUIFYSHDCIL-WXUKJITCSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.37
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54204639
1-[4-(2-chloroethenyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 54491632
1-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]-4-propoxybenzene
CID 18656241
1-[4-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzene
CID 54303334
4-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]-2-fluoro-1-methylbenzene
CID 18656305
4-[4-[4-(2-chloroethenyl)cyclohexyl]phenyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 54283723
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 90684814
4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
CID 18642462
2-[4-(2-chloroethenyl)cyclohexyl]-5-methylpyridine
CID 54260591
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737
2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-(4-propylcyclohexyl)pyrimidine
CID 18656269

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene?
The IUPAC name of 1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene (CID 18656188) is 1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene.
What is the SMILES notation for 1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene?
The canonical SMILES for 1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene is Cl/C=C/C1CCC(c2ccc(C3CCC(/C=C/Cl)CC3)cc2)CC1.
What is the InChIKey of 1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene?
The InChIKey is KVWAUIFYSHDCIL-WXUKJITCSA-N. The full InChI is InChI=1S/C22H28Cl2/c23-15-13-17-1-5-19(6-2-17)21-9-11-22(12-10-21)20-7-3-18(4-8-20)14-16-24/h9-20H,1-8H2/b15-13+,16-14+.
What are the key properties of 1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene?
1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene has a molecular weight of 363.37 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene is sourced from PubChem (CID 18656188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).