1,5-dimethylbicyclo[3.2.0]heptane

C9H16 — CID 21138207

IUPAC1,5-dimethylbicyclo[3.2.0]heptane
SMILESCC12CCCC1(C)CC2
InChIInChI=1S/C9H16/c1-8-4-3-5-9(8,2)7-6-8/h3-7H2,1-2H3
InChIKeyRPZMILKRKLSIER-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.98
Rot. Bonds

About 1,5-dimethylbicyclo[3.2.0]heptane

1,5-dimethylbicyclo[3.2.0]heptane (PubChem CID 21138207) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,5-dimethylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name1,5-dimethylbicyclo[3.2.0]heptane
PubChem CID21138207
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,5-dimethylbicyclo[3.2.0]heptane
SMILESCC12CCCC1(C)CC2
InChIInChI=1S/C9H16/c1-8-4-3-5-9(8,2)7-6-8/h3-7H2,1-2H3
InChIKeyRPZMILKRKLSIER-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylbicyclo[3.2.0]heptane?
The IUPAC name of 1,5-dimethylbicyclo[3.2.0]heptane (CID 21138207) is 1,5-dimethylbicyclo[3.2.0]heptane.
What is the SMILES notation for 1,5-dimethylbicyclo[3.2.0]heptane?
The canonical SMILES for 1,5-dimethylbicyclo[3.2.0]heptane is CC12CCCC1(C)CC2.
What is the InChIKey of 1,5-dimethylbicyclo[3.2.0]heptane?
The InChIKey is RPZMILKRKLSIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8-4-3-5-9(8,2)7-6-8/h3-7H2,1-2H3.
What are the key properties of 1,5-dimethylbicyclo[3.2.0]heptane?
1,5-dimethylbicyclo[3.2.0]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylbicyclo[3.2.0]heptane is sourced from PubChem (CID 21138207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).