(6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol

C11H18O3 — CID 11019847

IUPAC(6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
SMILESCC1=C(CO)CCC2(OCCO2)C1C
InChIInChI=1S/C11H18O3/c1-8-9(2)11(13-5-6-14-11)4-3-10(8)7-12/h9,12H,3-7H2,1-2H3
InChIKeyGPTPYXVAHJAJLU-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.47
Rot. Bonds1

About (6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol

(6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol (PubChem CID 11019847) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol.

Molecular Properties

Compound Name(6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
PubChem CID11019847
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
SMILESCC1=C(CO)CCC2(OCCO2)C1C
InChIInChI=1S/C11H18O3/c1-8-9(2)11(13-5-6-14-11)4-3-10(8)7-12/h9,12H,3-7H2,1-2H3
InChIKeyGPTPYXVAHJAJLU-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dioxaspiro[4.5]dec-7-ene-8-methanol, 7,9,9-trimethyl-
CID 10954861
2-[5,5-[Ethylenedioxy)-2,6,6-trimethyl-1-cyclohexenyl]-1,2-ethane-diol
CID 15663383
(4R,6R)-6-[(3aR,7aS)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-2-methylhept-2-en-4-ol
CID 139256437
1,4-Dioxaspiro[4.5]dec-7-en-8-yl-(4-fluorocyclohexyl)methanol
CID 117698354
(4S,6S)-6-[(3aR,7aS)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-2-methylhept-2-en-4-ol
CID 139256439
(4S,6R)-6-[(3aR,7aS)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-2-methylhept-2-en-4-ol
CID 139256440
(4R,6S)-6-[(3aR,7aS)-2,2,7-trimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-2-methylhept-2-en-4-ol
CID 139256441
1,3-Dioxolane, 2-(3,4-dihydroxy-4-methyl-2-cyclohexen-1-yl)-2-methyl-
CID 560038
Spiro[bicyclo[6.3.0]undec-1(8)-en-7-ol-3,2'-(1',3'-dioxolane)], 5,5-dimethyl-
CID 590624
(8-Methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol
CID 14377557
(2,3,3-Trimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
CID 21519465
2-(1,4-Dioxaspiro[4.5]dec-7-EN-8-YL)-2-propanol
CID 22753428

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol?
The IUPAC name of (6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol (CID 11019847) is (6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol.
What is the SMILES notation for (6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol?
The canonical SMILES for (6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol is CC1=C(CO)CCC2(OCCO2)C1C.
What is the InChIKey of (6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol?
The InChIKey is GPTPYXVAHJAJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8-9(2)11(13-5-6-14-11)4-3-10(8)7-12/h9,12H,3-7H2,1-2H3.
What are the key properties of (6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol?
(6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol has a molecular weight of 198.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol is sourced from PubChem (CID 11019847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).