6-methylbicyclo[4.2.0]octan-7-one

C9H14O — CID 557201

IUPAC6-methylbicyclo[4.2.0]octan-7-one
SMILESCC12CCCCC1CC2=O
InChIInChI=1S/C9H14O/c1-9-5-3-2-4-7(9)6-8(9)10/h7H,2-6H2,1H3
InChIKeyDHDITCARYPKJRW-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds

About 6-methylbicyclo[4.2.0]octan-7-one

6-methylbicyclo[4.2.0]octan-7-one (PubChem CID 557201) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-methylbicyclo[4.2.0]octan-7-one.

Molecular Properties

Compound Name6-methylbicyclo[4.2.0]octan-7-one
PubChem CID557201
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name6-methylbicyclo[4.2.0]octan-7-one
SMILESCC12CCCCC1CC2=O
InChIInChI=1S/C9H14O/c1-9-5-3-2-4-7(9)6-8(9)10/h7H,2-6H2,1H3
InChIKeyDHDITCARYPKJRW-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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CID 10329459
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CID 112653
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Frequently Asked Questions

What is the IUPAC name of 6-methylbicyclo[4.2.0]octan-7-one?
The IUPAC name of 6-methylbicyclo[4.2.0]octan-7-one (CID 557201) is 6-methylbicyclo[4.2.0]octan-7-one.
What is the SMILES notation for 6-methylbicyclo[4.2.0]octan-7-one?
The canonical SMILES for 6-methylbicyclo[4.2.0]octan-7-one is CC12CCCCC1CC2=O.
What is the InChIKey of 6-methylbicyclo[4.2.0]octan-7-one?
The InChIKey is DHDITCARYPKJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9-5-3-2-4-7(9)6-8(9)10/h7H,2-6H2,1H3.
What are the key properties of 6-methylbicyclo[4.2.0]octan-7-one?
6-methylbicyclo[4.2.0]octan-7-one has a molecular weight of 138.21 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbicyclo[4.2.0]octan-7-one is sourced from PubChem (CID 557201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).