7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one

C12H16O2 — CID 11975722

IUPAC7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one
SMILESCC(C)C1OC2(C=CC1=O)CC=CC2
InChIInChI=1S/C12H16O2/c1-9(2)11-10(13)5-8-12(14-11)6-3-4-7-12/h3-5,8-9,11H,6-7H2,1-2H3
InChIKeyVYKYOKAXABROIK-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.26
Rot. Bonds1

About 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one

7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one (PubChem CID 11975722) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one.

Molecular Properties

Compound Name7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one
PubChem CID11975722
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one
SMILESCC(C)C1OC2(C=CC1=O)CC=CC2
InChIInChI=1S/C12H16O2/c1-9(2)11-10(13)5-8-12(14-11)6-3-4-7-12/h3-5,8-9,11H,6-7H2,1-2H3
InChIKeyVYKYOKAXABROIK-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methoxybicyclo(3.2.0)hepta-3,6-dien-2-one
CID 134779
2-methyl-3-(5-oxo-2H-pyran-2-yl)propanal
CID 44351567
2-methyl-3-(6-methyl-5-oxo-2H-pyran-2-yl)propanal
CID 44351602
6-Acetyl-2,3,6-trimethyl-5,6-dihydropyran
CID 129792870
(2R)-2-[(2R,4E,6E)-2-methyl-3-oxoocta-4,6-dienyl]-2H-pyran-5-one
CID 15727107
6-Ethoxy-2-(propan-2-yl)-2H-pyran-3(6H)-one
CID 13041085
1-Prop-2-ynyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 57666237
2-Propan-2-yl-6-propan-2-ylidenepyran-3-one
CID 60119452
2-tert-butyl-6-methyl-2H-pyran-5-one
CID 66799576
3,6-di(propan-2-yl)-2H-pyran-5-one
CID 69879814
6-tert-butyl-2H-pyran-5-one
CID 124017710
6-Methoxy-6-methyl-2-propan-2-ylpyran-3-one
CID 139839705

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one?
The IUPAC name of 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one (CID 11975722) is 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one.
What is the SMILES notation for 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one?
The canonical SMILES for 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one is CC(C)C1OC2(C=CC1=O)CC=CC2.
What is the InChIKey of 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one?
The InChIKey is VYKYOKAXABROIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)11-10(13)5-8-12(14-11)6-3-4-7-12/h3-5,8-9,11H,6-7H2,1-2H3.
What are the key properties of 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one?
7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one has a molecular weight of 192.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-6-oxaspiro[4.5]deca-2,9-dien-8-one is sourced from PubChem (CID 11975722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).