1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene

C14H18Cl2 — CID 10611145

IUPAC1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene
SMILESClC1=C(/C=C/C2=C(Cl)CCCC2)CCCC1
InChIInChI=1S/C14H18Cl2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h9-10H,1-8H2/b10-9+
InChIKeyFSZPSFFJVAKIEC-MDZDMXLPSA-N
MW257.20 g/mol
LogP5.68
Rot. Bonds2

About 1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene

1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene (PubChem CID 10611145) has the molecular formula C14H18Cl2 and a molecular weight of 257.20 g/mol. Its IUPAC name is 1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene.

Molecular Properties

Compound Name1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene
PubChem CID10611145
Molecular FormulaC14H18Cl2
Molecular Weight257.20 g/mol
Exact Mass256.08
IUPAC Name1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene
SMILESClC1=C(/C=C/C2=C(Cl)CCCC2)CCCC1
InChIInChI=1S/C14H18Cl2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h9-10H,1-8H2/b10-9+
InChIKeyFSZPSFFJVAKIEC-MDZDMXLPSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.20
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene?
The IUPAC name of 1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene (CID 10611145) is 1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene.
What is the SMILES notation for 1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene?
The canonical SMILES for 1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene is ClC1=C(/C=C/C2=C(Cl)CCCC2)CCCC1.
What is the InChIKey of 1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene?
The InChIKey is FSZPSFFJVAKIEC-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H18Cl2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h9-10H,1-8H2/b10-9+.
What are the key properties of 1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene?
1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene has a molecular weight of 257.20 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-2-(2-chlorocyclohexen-1-yl)ethenyl]cyclohexene is sourced from PubChem (CID 10611145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).