2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one

C14H22O2 — CID 102049276

IUPAC2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one
SMILESCC(C)=CC1CC(=O)CC2(CCCCC2)O1
InChIInChI=1S/C14H22O2/c1-11(2)8-13-9-12(15)10-14(16-13)6-4-3-5-7-14/h8,13H,3-7,9-10H2,1-2H3
InChIKeyLOTDMMCJJLYKKN-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.40
Rot. Bonds1

About 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one

2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one (PubChem CID 102049276) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one
PubChem CID102049276
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one
SMILESCC(C)=CC1CC(=O)CC2(CCCCC2)O1
InChIInChI=1S/C14H22O2/c1-11(2)8-13-9-12(15)10-14(16-13)6-4-3-5-7-14/h8,13H,3-7,9-10H2,1-2H3
InChIKeyLOTDMMCJJLYKKN-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-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

Davanone
CID 519782
Davanone D
CID 88556
Deodarone
CID 14657303
(1S,8S,9S,11S)-9,11-diethyl-3,7-dimethyl-12-oxatricyclo[6.3.1.01,6]dodec-6-en-10-one
CID 76308251
(1R,2R,5S,6R)-2,3-dimethyl-12-oxatricyclo[4.4.1.12,5]dodec-3-en-11-one
CID 76311899
(1S,8S,9S,11S)-3,7,9,11-tetramethyl-12-oxatricyclo[6.3.1.01,6]dodec-6-en-10-one
CID 76329956
(2R)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one
CID 9837597
(6S)-2,2,6-trimethyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]oxan-4-one
CID 101162778
Zosteropenilline D
CID 139590440
(2S)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one
CID 102441807
Isodavanone
CID 6427512
(1S,5R)-1-but-3-enyl-7-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10750272

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one?
The IUPAC name of 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one (CID 102049276) is 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one.
What is the SMILES notation for 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one?
The canonical SMILES for 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one is CC(C)=CC1CC(=O)CC2(CCCCC2)O1.
What is the InChIKey of 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one?
The InChIKey is LOTDMMCJJLYKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)8-13-9-12(15)10-14(16-13)6-4-3-5-7-14/h8,13H,3-7,9-10H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one?
2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one has a molecular weight of 222.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enyl)-1-oxaspiro[5.5]undecan-4-one is sourced from PubChem (CID 102049276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).