1,6-dimethylbicyclo[3.1.0]hexane;methane

C9H18 — CID 173302897

IUPAC1,6-dimethylbicyclo[3.1.0]hexane;methane
SMILESC.CC1C2CCCC12C
InChIInChI=1S/C8H14.CH4/c1-6-7-4-3-5-8(6,7)2;/h6-7H,3-5H2,1-2H3;1H4
InChIKeyVUZKGXBLLGWQTI-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.08
Rot. Bonds

About 1,6-dimethylbicyclo[3.1.0]hexane;methane

1,6-dimethylbicyclo[3.1.0]hexane;methane (PubChem CID 173302897) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1,6-dimethylbicyclo[3.1.0]hexane;methane.

Molecular Properties

Compound Name1,6-dimethylbicyclo[3.1.0]hexane;methane
PubChem CID173302897
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1,6-dimethylbicyclo[3.1.0]hexane;methane
SMILESC.CC1C2CCCC12C
InChIInChI=1S/C8H14.CH4/c1-6-7-4-3-5-8(6,7)2;/h6-7H,3-5H2,1-2H3;1H4
InChIKeyVUZKGXBLLGWQTI-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylbicyclo[3.1.0]hexane;methane?
The IUPAC name of 1,6-dimethylbicyclo[3.1.0]hexane;methane (CID 173302897) is 1,6-dimethylbicyclo[3.1.0]hexane;methane.
What is the SMILES notation for 1,6-dimethylbicyclo[3.1.0]hexane;methane?
The canonical SMILES for 1,6-dimethylbicyclo[3.1.0]hexane;methane is C.CC1C2CCCC12C.
What is the InChIKey of 1,6-dimethylbicyclo[3.1.0]hexane;methane?
The InChIKey is VUZKGXBLLGWQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.CH4/c1-6-7-4-3-5-8(6,7)2;/h6-7H,3-5H2,1-2H3;1H4.
What are the key properties of 1,6-dimethylbicyclo[3.1.0]hexane;methane?
1,6-dimethylbicyclo[3.1.0]hexane;methane has a molecular weight of 126.24 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylbicyclo[3.1.0]hexane;methane is sourced from PubChem (CID 173302897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).