2-methyl-5-oxaspiro[3.5]non-6-en-8-one

C9H12O2 — CID 103564965

IUPAC2-methyl-5-oxaspiro[3.5]non-6-en-8-one
SMILESCC1CC2(CC(=O)C=CO2)C1
InChIInChI=1S/C9H12O2/c1-7-4-9(5-7)6-8(10)2-3-11-9/h2-3,7H,4-6H2,1H3
InChIKeyWNQVMTNGWPSYMH-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.66
Rot. Bonds

About 2-methyl-5-oxaspiro[3.5]non-6-en-8-one

2-methyl-5-oxaspiro[3.5]non-6-en-8-one (PubChem CID 103564965) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-methyl-5-oxaspiro[3.5]non-6-en-8-one.

Molecular Properties

Compound Name2-methyl-5-oxaspiro[3.5]non-6-en-8-one
PubChem CID103564965
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-methyl-5-oxaspiro[3.5]non-6-en-8-one
SMILESCC1CC2(CC(=O)C=CO2)C1
InChIInChI=1S/C9H12O2/c1-7-4-9(5-7)6-8(10)2-3-11-9/h2-3,7H,4-6H2,1H3
InChIKeyWNQVMTNGWPSYMH-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Propan-2-yl)-2,3-dihydro-4H-pyran-4-one
CID 12789094
(2S)-2-methyl-2-propanoyl-3H-pyran-4-one
CID 100917860
4H-Pyran-4-one, 2-ethyl-2,3-dihydro-2-methyl-
CID 12308375
1-(2-Methyl-3,4-dihydropyran-2-yl)propan-2-one
CID 20314068
1-(2-Ethyl-3,4-dihydropyran-2-yl)propan-2-one
CID 20314123
2-(2-Methylpropyl)pyran-3,4-dione
CID 21397322
(2S)-2,3-Dihydro-2-(1-methylethyl)-4H-pyran-4-one
CID 60152999
(2S)-2-cyclopropyl-2-ethyl-3H-pyran-4-one
CID 124084010
(2R,3R)-2-ethyl-3-methyl-2,3-dihydropyran-4-one
CID 157690897
3-butyl-2,2-dimethyl-3H-pyran-4-one
CID 172763351
3-Ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 12789097
2-(2-Methylpropyl)-2,3-dihydro-4H-pyran-4-one
CID 13197913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxaspiro[3.5]non-6-en-8-one?
The IUPAC name of 2-methyl-5-oxaspiro[3.5]non-6-en-8-one (CID 103564965) is 2-methyl-5-oxaspiro[3.5]non-6-en-8-one.
What is the SMILES notation for 2-methyl-5-oxaspiro[3.5]non-6-en-8-one?
The canonical SMILES for 2-methyl-5-oxaspiro[3.5]non-6-en-8-one is CC1CC2(CC(=O)C=CO2)C1.
What is the InChIKey of 2-methyl-5-oxaspiro[3.5]non-6-en-8-one?
The InChIKey is WNQVMTNGWPSYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7-4-9(5-7)6-8(10)2-3-11-9/h2-3,7H,4-6H2,1H3.
What are the key properties of 2-methyl-5-oxaspiro[3.5]non-6-en-8-one?
2-methyl-5-oxaspiro[3.5]non-6-en-8-one has a molecular weight of 152.19 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxaspiro[3.5]non-6-en-8-one is sourced from PubChem (CID 103564965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).