2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol

C13H22O3 — CID 57473083

IUPAC2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol
SMILESCC1=CC(O)CC(C)(C)C12CCC(C)(O)O2
InChIInChI=1S/C13H22O3/c1-9-7-10(14)8-11(2,3)13(9)6-5-12(4,15)16-13/h7,10,14-15H,5-6,8H2,1-4H3
InChIKeySJZGKFZUNCXEEW-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.98
Rot. Bonds

About 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol

2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol (PubChem CID 57473083) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol.

Molecular Properties

Compound Name2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol
PubChem CID57473083
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol
SMILESCC1=CC(O)CC(C)(C)C12CCC(C)(O)O2
InChIInChI=1S/C13H22O3/c1-9-7-10(14)8-11(2,3)13(9)6-5-12(4,15)16-13/h7,10,14-15H,5-6,8H2,1-4H3
InChIKeySJZGKFZUNCXEEW-UHFFFAOYSA-N
XLogP1.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol?
The IUPAC name of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol (CID 57473083) is 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol.
What is the SMILES notation for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol?
The canonical SMILES for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol is CC1=CC(O)CC(C)(C)C12CCC(C)(O)O2.
What is the InChIKey of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol?
The InChIKey is SJZGKFZUNCXEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-9-7-10(14)8-11(2,3)13(9)6-5-12(4,15)16-13/h7,10,14-15H,5-6,8H2,1-4H3.
What are the key properties of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol?
2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol has a molecular weight of 226.32 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene-2,8-diol is sourced from PubChem (CID 57473083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).