8-methyl-3-oxabicyclo[4.2.1]nonan-2-one

C9H14O2 — CID 123395559

IUPAC8-methyl-3-oxabicyclo[4.2.1]nonan-2-one
SMILESCC1CC2CCOC(=O)C1C2
InChIInChI=1S/C9H14O2/c1-6-4-7-2-3-11-9(10)8(6)5-7/h6-8H,2-5H2,1H3
InChIKeyVCLFRBKLMFLQJO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.60
Rot. Bonds

About 8-methyl-3-oxabicyclo[4.2.1]nonan-2-one

8-methyl-3-oxabicyclo[4.2.1]nonan-2-one (PubChem CID 123395559) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 8-methyl-3-oxabicyclo[4.2.1]nonan-2-one.

Molecular Properties

Compound Name8-methyl-3-oxabicyclo[4.2.1]nonan-2-one
PubChem CID123395559
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name8-methyl-3-oxabicyclo[4.2.1]nonan-2-one
SMILESCC1CC2CCOC(=O)C1C2
InChIInChI=1S/C9H14O2/c1-6-4-7-2-3-11-9(10)8(6)5-7/h6-8H,2-5H2,1H3
InChIKeyVCLFRBKLMFLQJO-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-oxabicyclo[4.2.1]nonan-2-one?
The IUPAC name of 8-methyl-3-oxabicyclo[4.2.1]nonan-2-one (CID 123395559) is 8-methyl-3-oxabicyclo[4.2.1]nonan-2-one.
What is the SMILES notation for 8-methyl-3-oxabicyclo[4.2.1]nonan-2-one?
The canonical SMILES for 8-methyl-3-oxabicyclo[4.2.1]nonan-2-one is CC1CC2CCOC(=O)C1C2.
What is the InChIKey of 8-methyl-3-oxabicyclo[4.2.1]nonan-2-one?
The InChIKey is VCLFRBKLMFLQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-7-2-3-11-9(10)8(6)5-7/h6-8H,2-5H2,1H3.
What are the key properties of 8-methyl-3-oxabicyclo[4.2.1]nonan-2-one?
8-methyl-3-oxabicyclo[4.2.1]nonan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-oxabicyclo[4.2.1]nonan-2-one is sourced from PubChem (CID 123395559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).