2-methylbicyclo[6.1.0]nonane

C10H18 — CID 91945096

IUPAC2-methylbicyclo[6.1.0]nonane
SMILESCC1CCCCCC2CC12
InChIInChI=1S/C10H18/c1-8-5-3-2-4-6-9-7-10(8)9/h8-10H,2-7H2,1H3
InChIKeyFIVBUSZJGDDMHL-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds

About 2-methylbicyclo[6.1.0]nonane

2-methylbicyclo[6.1.0]nonane (PubChem CID 91945096) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-methylbicyclo[6.1.0]nonane.

Molecular Properties

Compound Name2-methylbicyclo[6.1.0]nonane
PubChem CID91945096
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-methylbicyclo[6.1.0]nonane
SMILESCC1CCCCCC2CC12
InChIInChI=1S/C10H18/c1-8-5-3-2-4-6-9-7-10(8)9/h8-10H,2-7H2,1H3
InChIKeyFIVBUSZJGDDMHL-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[6.1.0]nonane?
The IUPAC name of 2-methylbicyclo[6.1.0]nonane (CID 91945096) is 2-methylbicyclo[6.1.0]nonane.
What is the SMILES notation for 2-methylbicyclo[6.1.0]nonane?
The canonical SMILES for 2-methylbicyclo[6.1.0]nonane is CC1CCCCCC2CC12.
What is the InChIKey of 2-methylbicyclo[6.1.0]nonane?
The InChIKey is FIVBUSZJGDDMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8-5-3-2-4-6-9-7-10(8)9/h8-10H,2-7H2,1H3.
What are the key properties of 2-methylbicyclo[6.1.0]nonane?
2-methylbicyclo[6.1.0]nonane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[6.1.0]nonane is sourced from PubChem (CID 91945096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).