1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane

C12H22 — CID 20693459

IUPAC1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane
SMILESCC1C(C)C2(C)C(C)C(C)C12C
InChIInChI=1S/C12H22/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h7-10H,1-6H3
InChIKeyWPTZFZPXGMTCDK-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.57
Rot. Bonds

About 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane

1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane (PubChem CID 20693459) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane
PubChem CID20693459
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane
SMILESCC1C(C)C2(C)C(C)C(C)C12C
InChIInChI=1S/C12H22/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h7-10H,1-6H3
InChIKeyWPTZFZPXGMTCDK-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane?
The IUPAC name of 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane (CID 20693459) is 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane.
What is the SMILES notation for 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane?
The canonical SMILES for 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane is CC1C(C)C2(C)C(C)C(C)C12C.
What is the InChIKey of 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane?
The InChIKey is WPTZFZPXGMTCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h7-10H,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane?
1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane has a molecular weight of 166.31 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexane is sourced from PubChem (CID 20693459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).