6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane

C10H19Cl — CID 143195952

IUPAC6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane
SMILESCC.CC1CC2C(C1)C2(C)Cl
InChIInChI=1S/C8H13Cl.C2H6/c1-5-3-6-7(4-5)8(6,2)9;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyICDDFPJAOZRBAM-UHFFFAOYSA-N
MW174.71 g/mol
LogP3.69
Rot. Bonds

About 6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane

6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane (PubChem CID 143195952) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is 6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane.

Molecular Properties

Compound Name6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane
PubChem CID143195952
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane
SMILESCC.CC1CC2C(C1)C2(C)Cl
InChIInChI=1S/C8H13Cl.C2H6/c1-5-3-6-7(4-5)8(6,2)9;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyICDDFPJAOZRBAM-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane?
The IUPAC name of 6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane (CID 143195952) is 6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane.
What is the SMILES notation for 6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane?
The canonical SMILES for 6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane is CC.CC1CC2C(C1)C2(C)Cl.
What is the InChIKey of 6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane?
The InChIKey is ICDDFPJAOZRBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl.C2H6/c1-5-3-6-7(4-5)8(6,2)9;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane?
6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane has a molecular weight of 174.71 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,6-dimethylbicyclo[3.1.0]hexane;ethane is sourced from PubChem (CID 143195952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).