(1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane

C21H18Cl2 — CID 154719860

IUPAC(1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane
SMILESClc1ccc(C(=C=C2[C@H]3CCCC[C@@H]23)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18Cl2/c22-16-9-5-14(6-10-16)20(15-7-11-17(23)12-8-15)13-21-18-3-1-2-4-19(18)21/h5-12,18-19H,1-4H2/t18-,19+
InChIKeyVZCVOGABZBBSSO-KDURUIRLSA-N
MW341.28 g/mol
LogP6.77
Rot. Bonds2

About (1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane

(1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane (PubChem CID 154719860) has the molecular formula C21H18Cl2 and a molecular weight of 341.28 g/mol. Its IUPAC name is (1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane
PubChem CID154719860
Molecular FormulaC21H18Cl2
Molecular Weight341.28 g/mol
Exact Mass340.08
IUPAC Name(1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane
SMILESClc1ccc(C(=C=C2[C@H]3CCCC[C@@H]23)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18Cl2/c22-16-9-5-14(6-10-16)20(15-7-11-17(23)12-8-15)13-21-18-3-1-2-4-19(18)21/h5-12,18-19H,1-4H2/t18-,19+
InChIKeyVZCVOGABZBBSSO-KDURUIRLSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.28
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane?
The IUPAC name of (1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane (CID 154719860) is (1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane is Clc1ccc(C(=C=C2[C@H]3CCCC[C@@H]23)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane?
The InChIKey is VZCVOGABZBBSSO-KDURUIRLSA-N. The full InChI is InChI=1S/C21H18Cl2/c22-16-9-5-14(6-10-16)20(15-7-11-17(23)12-8-15)13-21-18-3-1-2-4-19(18)21/h5-12,18-19H,1-4H2/t18-,19+.
What are the key properties of (1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane?
(1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane has a molecular weight of 341.28 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-7-[2,2-bis(4-chlorophenyl)ethenylidene]bicyclo[4.1.0]heptane is sourced from PubChem (CID 154719860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).