3-methyl-1-oxaspiro[4.4]nonan-2-one

C9H14O2 — CID 11804975

IUPAC3-methyl-1-oxaspiro[4.4]nonan-2-one
SMILESCC1CC2(CCCC2)OC1=O
InChIInChI=1S/C9H14O2/c1-7-6-9(11-8(7)10)4-2-3-5-9/h7H,2-6H2,1H3
InChIKeyUIHLPKQIPIZXGM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds

About 3-methyl-1-oxaspiro[4.4]nonan-2-one

3-methyl-1-oxaspiro[4.4]nonan-2-one (PubChem CID 11804975) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-methyl-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3-methyl-1-oxaspiro[4.4]nonan-2-one
PubChem CID11804975
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-methyl-1-oxaspiro[4.4]nonan-2-one
SMILESCC1CC2(CCCC2)OC1=O
InChIInChI=1S/C9H14O2/c1-7-6-9(11-8(7)10)4-2-3-5-9/h7H,2-6H2,1H3
InChIKeyUIHLPKQIPIZXGM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 3-methyl-1-oxaspiro[4.4]nonan-2-one (CID 11804975) is 3-methyl-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3-methyl-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 3-methyl-1-oxaspiro[4.4]nonan-2-one is CC1CC2(CCCC2)OC1=O.
What is the InChIKey of 3-methyl-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is UIHLPKQIPIZXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-6-9(11-8(7)10)4-2-3-5-9/h7H,2-6H2,1H3.
What are the key properties of 3-methyl-1-oxaspiro[4.4]nonan-2-one?
3-methyl-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 11804975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).