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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Related Compounds

1,4-dimethyl-2-(1-methylcyclopropyl)cyclopentane
CID 123851354
1,1-difluoro-2,4,6-trimethylcyclohexane
CID 161062505
ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
2',3-dimethylspiro[bicyclo[3.1.0]hexane-6,1'-cyclobutane]
CID 91319606
4-methyl-2,6-bis(1-methylcyclohexyl)cyclohexan-1-ol
CID 18739597
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
7-methyltricyclo[3.3.0.01,4]octane
CID 148884206
3-tert-butyl-6-chloro-6-methyl-3-azabicyclo[3.1.0]hexane
CID 154931376
cis-(1R,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
CID 23233710
1-(chloromethyl)-1,3-dimethylcyclobutane
CID 164652418
ethane;methylcyclopropane
CID 158329065
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020

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).