1,2,2-trimethylbicyclo[1.1.0]butane

C7H12 — CID 12611192

IUPAC1,2,2-trimethylbicyclo[1.1.0]butane
SMILESCC1(C)C2CC21C
InChIInChI=1S/C7H12/c1-6(2)5-4-7(5,6)3/h5H,4H2,1-3H3
InChIKeyGJMVYBBYZUWWLJ-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.05
Rot. Bonds

About 1,2,2-trimethylbicyclo[1.1.0]butane

1,2,2-trimethylbicyclo[1.1.0]butane (PubChem CID 12611192) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1,2,2-trimethylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1,2,2-trimethylbicyclo[1.1.0]butane
PubChem CID12611192
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1,2,2-trimethylbicyclo[1.1.0]butane
SMILESCC1(C)C2CC21C
InChIInChI=1S/C7H12/c1-6(2)5-4-7(5,6)3/h5H,4H2,1-3H3
InChIKeyGJMVYBBYZUWWLJ-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylbicyclo[1.1.0]butane?
The IUPAC name of 1,2,2-trimethylbicyclo[1.1.0]butane (CID 12611192) is 1,2,2-trimethylbicyclo[1.1.0]butane.
What is the SMILES notation for 1,2,2-trimethylbicyclo[1.1.0]butane?
The canonical SMILES for 1,2,2-trimethylbicyclo[1.1.0]butane is CC1(C)C2CC21C.
What is the InChIKey of 1,2,2-trimethylbicyclo[1.1.0]butane?
The InChIKey is GJMVYBBYZUWWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-6(2)5-4-7(5,6)3/h5H,4H2,1-3H3.
What are the key properties of 1,2,2-trimethylbicyclo[1.1.0]butane?
1,2,2-trimethylbicyclo[1.1.0]butane has a molecular weight of 96.17 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylbicyclo[1.1.0]butane is sourced from PubChem (CID 12611192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).