8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

C10H12O2 — CID 10855823

IUPAC8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCC1=CCC2(C=CC(=O)O2)CC1
InChIInChI=1S/C10H12O2/c1-8-2-5-10(6-3-8)7-4-9(11)12-10/h2,4,7H,3,5-6H2,1H3
InChIKeyVDNKBGBKFBTIEM-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.97
Rot. Bonds

About 8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (PubChem CID 10855823) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.

Molecular Properties

Compound Name8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
PubChem CID10855823
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
SMILESCC1=CCC2(C=CC(=O)O2)CC1
InChIInChI=1S/C10H12O2/c1-8-2-5-10(6-3-8)7-4-9(11)12-10/h2,4,7H,3,5-6H2,1H3
InChIKeyVDNKBGBKFBTIEM-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one
CID 247461
plakilactone C
CID 71451878
(-)-Actinidiolide
CID 11062957
(5S)-4,8-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
CID 21668635
(5R)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 11586873
(5S)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]furan-2-one
CID 162856502
1-Oxaspiro(4.5)dec-3-en-2-one
CID 642952
Agn-PC-03E5J0
CID 11126831
3-Methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 10942809
tert-butyl (2E)-3-cyclohexylprop-2-enoate
CID 11287288
4-Methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 12471977
1-Oxaspiro[5.5]undec-3-en-2-one
CID 19912101

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The IUPAC name of 8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (CID 10855823) is 8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.
What is the SMILES notation for 8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The canonical SMILES for 8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is CC1=CCC2(C=CC(=O)O2)CC1.
What is the InChIKey of 8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
The InChIKey is VDNKBGBKFBTIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-2-5-10(6-3-8)7-4-9(11)12-10/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?
8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is sourced from PubChem (CID 10855823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).