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

C13H20O3 — CID 85290962

IUPAC2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)CC(C)(C)C12CCC(C)(O)O2
InChIInChI=1S/C13H20O3/c1-9-7-10(14)8-11(2,3)13(9)6-5-12(4,15)16-13/h7,15H,5-6,8H2,1-4H3
InChIKeyYAZKQQFIRYUXBI-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.19
Rot. Bonds

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

2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one (PubChem CID 85290962) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
PubChem CID85290962
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
SMILESCC1=CC(=O)CC(C)(C)C12CCC(C)(O)O2
InChIInChI=1S/C13H20O3/c1-9-7-10(14)8-11(2,3)13(9)6-5-12(4,15)16-13/h7,15H,5-6,8H2,1-4H3
InChIKeyYAZKQQFIRYUXBI-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S,9R,10S)-10-chloro-9-hydroxy-1,5,5,9-tetramethylspiro[5.5]undec-1-en-3-one
CID 162935179
(4S)-4-[(E)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
CID 101458721
4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 14135401
4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 5280654
(4S)-4-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 14135402
(4R)-4-hydroxy-4-[(3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 162958923
ethyl 1,2,6,6-tetramethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 13149428
(6S)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one
CID 71393641
6-hydroxy-5,6-dimethylcyclohex-4-ene-1,3-dione
CID 12768990
1,5-dimethyl-6-propan-2-yl-7-oxabicyclo[4.1.0]hept-4-en-3-one;ethane
CID 143197084
3,4,4,6,6-pentamethylcyclohept-2-en-1-one
CID 145158727
(Z)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpent-2-en-4-ynal
CID 23255984

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of 2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one (CID 85290962) is 2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one is CC1=CC(=O)CC(C)(C)C12CCC(C)(O)O2.
What is the InChIKey of 2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one?
The InChIKey is YAZKQQFIRYUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9-7-10(14)8-11(2,3)13(9)6-5-12(4,15)16-13/h7,15H,5-6,8H2,1-4H3.
What are the key properties of 2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one?
2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one has a molecular weight of 224.30 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 85290962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).