2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one

C15H22O3 — CID 20631227

IUPAC2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one
SMILESC=CC1(C)C=CC2(O1)C(C)C(=O)C(O)CC2(C)C
InChIInChI=1S/C15H22O3/c1-6-14(5)7-8-15(18-14)10(2)12(17)11(16)9-13(15,3)4/h6-8,10-11,16H,1,9H2,2-5H3
InChIKeyOYSIJCGULZCJJQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.25
Rot. Bonds1

About 2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one

2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one (PubChem CID 20631227) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one.

Molecular Properties

Compound Name2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one
PubChem CID20631227
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one
SMILESC=CC1(C)C=CC2(O1)C(C)C(=O)C(O)CC2(C)C
InChIInChI=1S/C15H22O3/c1-6-14(5)7-8-15(18-14)10(2)12(17)11(16)9-13(15,3)4/h6-8,10-11,16H,1,9H2,2-5H3
InChIKeyOYSIJCGULZCJJQ-UHFFFAOYSA-N
XLogP2.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Annuionone H
CID 101765546
(1R,2S,6S,7R)-3-hydroxy-7-methoxy-9,9-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one
CID 10513853
(1R,5S,8R)-2-hydroxy-8-[(E)-3-hydroxy-4-methylhex-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
CID 11644861
(1S,3S,4S,7S)-7-ethoxy-3-hydroxy-3,4-dimethylbicyclo[2.2.2]oct-5-en-2-one
CID 25265894
2-Hydroxy-8-(3-hydroxy-4-methylhex-1-enyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
CID 73040394
(1S,3S,4S,7S)-7-ethoxy-3-hydroxy-3-prop-2-enylbicyclo[2.2.2]oct-5-en-2-one
CID 100929192
(1R,2S,5S,8S)-2-hydroxy-8-[(E,3R,4S)-3-hydroxy-4-methylhex-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
CID 162933645
(1R,2S,5S,8R)-2-hydroxy-8-[(E,3R,4S)-3-hydroxy-4-methylhex-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
CID 162933646

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one?
The IUPAC name of 2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one (CID 20631227) is 2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one.
What is the SMILES notation for 2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one?
The canonical SMILES for 2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one is C=CC1(C)C=CC2(O1)C(C)C(=O)C(O)CC2(C)C.
What is the InChIKey of 2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one?
The InChIKey is OYSIJCGULZCJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-14(5)7-8-15(18-14)10(2)12(17)11(16)9-13(15,3)4/h6-8,10-11,16H,1,9H2,2-5H3.
What are the key properties of 2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one?
2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one has a molecular weight of 250.34 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-8-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-3-en-9-one is sourced from PubChem (CID 20631227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).