(8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene

C15H16Cl2 — CID 163938019

IUPAC(8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene
SMILESC[C@H]1C2CC=C(c3ccc(Cl)c(Cl)c3)CCC21
InChIInChI=1S/C15H16Cl2/c1-9-12-5-2-10(3-6-13(9)12)11-4-7-14(16)15(17)8-11/h2,4,7-9,12-13H,3,5-6H2,1H3/t9-,12?,13?/m0/s1
InChIKeyROMOTOMAFSCOMH-ALXWSUNGSA-N
MW267.20 g/mol
LogP5.44
Rot. Bonds1

About (8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene

(8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene (PubChem CID 163938019) has the molecular formula C15H16Cl2 and a molecular weight of 267.20 g/mol. Its IUPAC name is (8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene.

Molecular Properties

Compound Name(8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene
PubChem CID163938019
Molecular FormulaC15H16Cl2
Molecular Weight267.20 g/mol
Exact Mass266.06
IUPAC Name(8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene
SMILESC[C@H]1C2CC=C(c3ccc(Cl)c(Cl)c3)CCC21
InChIInChI=1S/C15H16Cl2/c1-9-12-5-2-10(3-6-13(9)12)11-4-7-14(16)15(17)8-11/h2,4,7-9,12-13H,3,5-6H2,1H3/t9-,12?,13?/m0/s1
InChIKeyROMOTOMAFSCOMH-ALXWSUNGSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.20
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene?
The IUPAC name of (8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene (CID 163938019) is (8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene.
What is the SMILES notation for (8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene?
The canonical SMILES for (8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene is C[C@H]1C2CC=C(c3ccc(Cl)c(Cl)c3)CCC21.
What is the InChIKey of (8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene?
The InChIKey is ROMOTOMAFSCOMH-ALXWSUNGSA-N. The full InChI is InChI=1S/C15H16Cl2/c1-9-12-5-2-10(3-6-13(9)12)11-4-7-14(16)15(17)8-11/h2,4,7-9,12-13H,3,5-6H2,1H3/t9-,12?,13?/m0/s1.
What are the key properties of (8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene?
(8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene has a molecular weight of 267.20 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4-(3,4-dichlorophenyl)-8-methylbicyclo[5.1.0]oct-3-ene is sourced from PubChem (CID 163938019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).