7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

C12H20O3 — CID 14759592

IUPAC7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCC1=CC2(CC(C)(C)C1(C)O)OCCO2
InChIInChI=1S/C12H20O3/c1-9-7-12(14-5-6-15-12)8-10(2,3)11(9,4)13/h7,13H,5-6,8H2,1-4H3
InChIKeyVJOGHSSAAAQMGP-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.86
Rot. Bonds

About 7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol

7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (PubChem CID 14759592) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.

Molecular Properties

Compound Name7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
PubChem CID14759592
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol
SMILESCC1=CC2(CC(C)(C)C1(C)O)OCCO2
InChIInChI=1S/C12H20O3/c1-9-7-12(14-5-6-15-12)8-10(2,3)11(9,4)13/h7,13H,5-6,8H2,1-4H3
InChIKeyVJOGHSSAAAQMGP-UHFFFAOYSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
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 7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The IUPAC name of 7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol (CID 14759592) is 7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol.
What is the SMILES notation for 7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The canonical SMILES for 7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is CC1=CC2(CC(C)(C)C1(C)O)OCCO2.
What is the InChIKey of 7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
The InChIKey is VJOGHSSAAAQMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-7-12(14-5-6-15-12)8-10(2,3)11(9,4)13/h7,13H,5-6,8H2,1-4H3.
What are the key properties of 7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol?
7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol has a molecular weight of 212.29 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ol is sourced from PubChem (CID 14759592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).