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

C13H22O2 — CID 71339001

IUPAC2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol
SMILESCC1=CC(O)CC(C)(C)C12CCC(C)O2
InChIInChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3
InChIKeyAVMRWEITZUAUJV-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.66
Rot. Bonds

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

2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol (PubChem CID 71339001) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol.

Molecular Properties

Compound Name2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol
PubChem CID71339001
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol
SMILESCC1=CC(O)CC(C)(C)C12CCC(C)O2
InChIInChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3
InChIKeyAVMRWEITZUAUJV-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 61953
toxin FS2
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CID 11844358
1-Oxaspiro[4.5]dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5R)-rel-
CID 11298500
1-Oxaspiro(4.5)dec-6-ene, 2,6,10,10-tetramethyl-, (2R,5S)-rel-
CID 11435500
Nonaprenylhydroquinone
CID 129847871
1-Oxaspiro(4.5)dec-6-ene, 2,6,10,10-tetramethyl-, (2S,5S)-
CID 6431226
Riesling acetal
CID 57473083
(1S,5R,8R)-1-(hydroxymethyl)-8-methyl-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-ol
CID 127042784
Centarol
CID 442349
(1R,3R,5S,7R,8E,12R)-1,5,9-trimethyl-13-propan-2-yl-4-oxatricyclo[10.3.0.03,5]pentadeca-8,13-dien-7-ol
CID 15690557
(1S,4S)-4-[(1R,4R)-4-hydroxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-yl]-1,4-dimethylcyclohex-2-en-1-ol
CID 21587786

Frequently Asked Questions

What is the IUPAC name of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol?
The IUPAC name of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol (CID 71339001) is 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol.
What is the SMILES notation for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol?
The canonical SMILES for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol is CC1=CC(O)CC(C)(C)C12CCC(C)O2.
What is the InChIKey of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol?
The InChIKey is AVMRWEITZUAUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3.
What are the key properties of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol?
2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol has a molecular weight of 210.32 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol is sourced from PubChem (CID 71339001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).