(1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane

C13H16Cl2 — CID 142868136

IUPAC(1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane
SMILESClC1=CC([C@@]23CCCCC2C3)CC(Cl)=C1
InChIInChI=1S/C13H16Cl2/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-13/h5,7,9-10H,1-4,6,8H2/t9?,10?,13-/m1/s1
InChIKeyUCKNJTBSYJAHFM-SRHKJQAYSA-N
MW243.18 g/mol
LogP4.83
Rot. Bonds1

About (1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane

(1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane (PubChem CID 142868136) has the molecular formula C13H16Cl2 and a molecular weight of 243.18 g/mol. Its IUPAC name is (1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane
PubChem CID142868136
Molecular FormulaC13H16Cl2
Molecular Weight243.18 g/mol
Exact Mass242.06
IUPAC Name(1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane
SMILESClC1=CC([C@@]23CCCCC2C3)CC(Cl)=C1
InChIInChI=1S/C13H16Cl2/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-13/h5,7,9-10H,1-4,6,8H2/t9?,10?,13-/m1/s1
InChIKeyUCKNJTBSYJAHFM-SRHKJQAYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane?
The IUPAC name of (1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane (CID 142868136) is (1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane.
What is the SMILES notation for (1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane?
The canonical SMILES for (1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane is ClC1=CC([C@@]23CCCCC2C3)CC(Cl)=C1.
What is the InChIKey of (1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane?
The InChIKey is UCKNJTBSYJAHFM-SRHKJQAYSA-N. The full InChI is InChI=1S/C13H16Cl2/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-13/h5,7,9-10H,1-4,6,8H2/t9?,10?,13-/m1/s1.
What are the key properties of (1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane?
(1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane has a molecular weight of 243.18 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 142868136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).