1,10-dioxaspiro[4.5]dec-3-en-2-ol

C8H12O3 — CID 130129233

IUPAC1,10-dioxaspiro[4.5]dec-3-en-2-ol
SMILESOC1C=CC2(CCCCO2)O1
InChIInChI=1S/C8H12O3/c9-7-3-5-8(11-7)4-1-2-6-10-8/h3,5,7,9H,1-2,4,6H2
InChIKeyBIJDGDKGDNCIBA-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.79
Rot. Bonds

About 1,10-dioxaspiro[4.5]dec-3-en-2-ol

1,10-dioxaspiro[4.5]dec-3-en-2-ol (PubChem CID 130129233) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1,10-dioxaspiro[4.5]dec-3-en-2-ol.

Molecular Properties

Compound Name1,10-dioxaspiro[4.5]dec-3-en-2-ol
PubChem CID130129233
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name1,10-dioxaspiro[4.5]dec-3-en-2-ol
SMILESOC1C=CC2(CCCCO2)O1
InChIInChI=1S/C8H12O3/c9-7-3-5-8(11-7)4-1-2-6-10-8/h3,5,7,9H,1-2,4,6H2
InChIKeyBIJDGDKGDNCIBA-UHFFFAOYSA-N
XLogP0.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(6-Hydroxy-trans-4-hexenyloxy)tetrahydropyran
CID 13411670
1,6-Dioxaspiro[4.5]dec-3-ene
CID 13841628
cis-4-Tetrahydropyranyloxy 2-cyclopentenol
CID 13623252
(2E,4S)-4-[(Tetrahydro-2H-pyran-2-yl)oxy]-2-penten-1-ol
CID 12842695
(E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol
CID 134877458
2-(Oxan-2-yloxymethyl)cyclopent-2-en-1-ol
CID 138985034
2,6-Dodecadien-1-ol, 5-((tetrahydro-2H-pyran-2-yl)oxy)-, (Z,E)-
CID 6440588
2-Octen-1-ol, 7-[(tetrahydro-2H-pyran-2-yl)oxy]-, (E)-
CID 5367958
(2E,5E)-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol
CID 10656179
(1S,4R)-4-(oxan-2-yloxy)cyclohex-2-en-1-ol
CID 10845639
1,7-Dioxaspiro[5.5]undec-4-en-3-ol
CID 14832127
(E)-4-[(2-Tetrahydropyranyl)oxy]-2-nonen-1-ol
CID 145926969

Frequently Asked Questions

What is the IUPAC name of 1,10-dioxaspiro[4.5]dec-3-en-2-ol?
The IUPAC name of 1,10-dioxaspiro[4.5]dec-3-en-2-ol (CID 130129233) is 1,10-dioxaspiro[4.5]dec-3-en-2-ol.
What is the SMILES notation for 1,10-dioxaspiro[4.5]dec-3-en-2-ol?
The canonical SMILES for 1,10-dioxaspiro[4.5]dec-3-en-2-ol is OC1C=CC2(CCCCO2)O1.
What is the InChIKey of 1,10-dioxaspiro[4.5]dec-3-en-2-ol?
The InChIKey is BIJDGDKGDNCIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-7-3-5-8(11-7)4-1-2-6-10-8/h3,5,7,9H,1-2,4,6H2.
What are the key properties of 1,10-dioxaspiro[4.5]dec-3-en-2-ol?
1,10-dioxaspiro[4.5]dec-3-en-2-ol has a molecular weight of 156.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dioxaspiro[4.5]dec-3-en-2-ol is sourced from PubChem (CID 130129233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).