2-methyl-1-oxaspiro[4.5]dec-2-en-4-one

C10H14O2 — CID 12671964

IUPAC2-methyl-1-oxaspiro[4.5]dec-2-en-4-one
SMILESCC1=CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C10H14O2/c1-8-7-9(11)10(12-8)5-3-2-4-6-10/h7H,2-6H2,1H3
InChIKeyQNDPTGDPVFPTIS-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.19
Rot. Bonds

About 2-methyl-1-oxaspiro[4.5]dec-2-en-4-one

2-methyl-1-oxaspiro[4.5]dec-2-en-4-one (PubChem CID 12671964) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methyl-1-oxaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name2-methyl-1-oxaspiro[4.5]dec-2-en-4-one
PubChem CID12671964
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methyl-1-oxaspiro[4.5]dec-2-en-4-one
SMILESCC1=CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C10H14O2/c1-8-7-9(11)10(12-8)5-3-2-4-6-10/h7H,2-6H2,1H3
InChIKeyQNDPTGDPVFPTIS-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Dodecyl-5-(2-methoxyethyl)-2-methylfuran-3(2H)-one
CID 56590259
2-Dodecyl-5-(2-methoxyethyl)-2-methyluran-3-one
CID 162938508
2-(Trichloromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
CID 616174
2-Methyl-1-oxaspiro[5.5]undec-2-en-4-one
CID 13270906
2,5-Dimethyl-2-(3-oxobutyl)furan-3-one
CID 15273947
2,5-Dimethyl-2-pent-4-enylfuran-3-one
CID 85974375
2-Cyclohexyl-1-oxaspiro[4.4]non-2-en-4-one
CID 101420342
1-Methoxybicyclo[2.2.2]octenone
CID 129668738
2-Hex-5-enyl-2,5-dimethylfuran-3-one
CID 145994768
2-(5-Iodopentyl)-2,5-dimethylfuran-3-one
CID 145998046
2-(Trifluoromethyl)-1-oxaspiro[4.5]dec-2-en-4-one
CID 15311287
[1-[(E)-but-2-enoyl]cyclohexyl] acetate
CID 121009874

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-oxaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 2-methyl-1-oxaspiro[4.5]dec-2-en-4-one (CID 12671964) is 2-methyl-1-oxaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 2-methyl-1-oxaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 2-methyl-1-oxaspiro[4.5]dec-2-en-4-one is CC1=CC(=O)C2(CCCCC2)O1.
What is the InChIKey of 2-methyl-1-oxaspiro[4.5]dec-2-en-4-one?
The InChIKey is QNDPTGDPVFPTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-7-9(11)10(12-8)5-3-2-4-6-10/h7H,2-6H2,1H3.
What are the key properties of 2-methyl-1-oxaspiro[4.5]dec-2-en-4-one?
2-methyl-1-oxaspiro[4.5]dec-2-en-4-one has a molecular weight of 166.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-oxaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 12671964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).