6,7-dimethylbicyclo[3.2.0]heptane

C9H16 — CID 59956544

IUPAC6,7-dimethylbicyclo[3.2.0]heptane
SMILESCC1C(C)C2CCCC12
InChIInChI=1S/C9H16/c1-6-7(2)9-5-3-4-8(6)9/h6-9H,3-5H2,1-2H3
InChIKeyPHVXXOYRUVZLEV-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.69
Rot. Bonds

About 6,7-dimethylbicyclo[3.2.0]heptane

6,7-dimethylbicyclo[3.2.0]heptane (PubChem CID 59956544) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 6,7-dimethylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6,7-dimethylbicyclo[3.2.0]heptane
PubChem CID59956544
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name6,7-dimethylbicyclo[3.2.0]heptane
SMILESCC1C(C)C2CCCC12
InChIInChI=1S/C9H16/c1-6-7(2)9-5-3-4-8(6)9/h6-9H,3-5H2,1-2H3
InChIKeyPHVXXOYRUVZLEV-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylbicyclo[3.2.0]heptane?
The IUPAC name of 6,7-dimethylbicyclo[3.2.0]heptane (CID 59956544) is 6,7-dimethylbicyclo[3.2.0]heptane.
What is the SMILES notation for 6,7-dimethylbicyclo[3.2.0]heptane?
The canonical SMILES for 6,7-dimethylbicyclo[3.2.0]heptane is CC1C(C)C2CCCC12.
What is the InChIKey of 6,7-dimethylbicyclo[3.2.0]heptane?
The InChIKey is PHVXXOYRUVZLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-6-7(2)9-5-3-4-8(6)9/h6-9H,3-5H2,1-2H3.
What are the key properties of 6,7-dimethylbicyclo[3.2.0]heptane?
6,7-dimethylbicyclo[3.2.0]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylbicyclo[3.2.0]heptane is sourced from PubChem (CID 59956544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).