(7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol

C12H20O3 — CID 10954861

IUPAC(7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol
SMILESCC1=C(CO)C(C)(C)CC2(C1)OCCO2
InChIInChI=1S/C12H20O3/c1-9-6-12(14-4-5-15-12)8-11(2,3)10(9)7-13/h13H,4-8H2,1-3H3
InChIKeyXWHOBVBAXIZGCX-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.86
Rot. Bonds1

About (7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol

(7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol (PubChem CID 10954861) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol.

Molecular Properties

Compound Name(7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol
PubChem CID10954861
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol
SMILESCC1=C(CO)C(C)(C)CC2(C1)OCCO2
InChIInChI=1S/C12H20O3/c1-9-6-12(14-4-5-15-12)8-11(2,3)10(9)7-13/h13H,4-8H2,1-3H3
InChIKeyXWHOBVBAXIZGCX-UHFFFAOYSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 (7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol?
The IUPAC name of (7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol (CID 10954861) is (7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol.
What is the SMILES notation for (7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol?
The canonical SMILES for (7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol is CC1=C(CO)C(C)(C)CC2(C1)OCCO2.
What is the InChIKey of (7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol?
The InChIKey is XWHOBVBAXIZGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-6-12(14-4-5-15-12)8-11(2,3)10(9)7-13/h13H,4-8H2,1-3H3.
What are the key properties of (7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol?
(7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol has a molecular weight of 212.29 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7,9-trimethyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)methanol is sourced from PubChem (CID 10954861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).