1,7-dioxaspiro[5.5]undec-4-en-3-ol

C9H14O3 — CID 14832127

IUPAC1,7-dioxaspiro[5.5]undec-4-en-3-ol
SMILESOC1C=CC2(CCCCO2)OC1
InChIInChI=1S/C9H14O3/c10-8-3-5-9(12-7-8)4-1-2-6-11-9/h3,5,8,10H,1-2,4,6-7H2
InChIKeyDOQGZFACPUVUMG-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.83
Rot. Bonds

About 1,7-dioxaspiro[5.5]undec-4-en-3-ol

1,7-dioxaspiro[5.5]undec-4-en-3-ol (PubChem CID 14832127) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,7-dioxaspiro[5.5]undec-4-en-3-ol.

Molecular Properties

Compound Name1,7-dioxaspiro[5.5]undec-4-en-3-ol
PubChem CID14832127
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1,7-dioxaspiro[5.5]undec-4-en-3-ol
SMILESOC1C=CC2(CCCCO2)OC1
InChIInChI=1S/C9H14O3/c10-8-3-5-9(12-7-8)4-1-2-6-11-9/h3,5,8,10H,1-2,4,6-7H2
InChIKeyDOQGZFACPUVUMG-UHFFFAOYSA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.83
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 1,7-dioxaspiro[5.5]undec-4-en-3-ol?
The IUPAC name of 1,7-dioxaspiro[5.5]undec-4-en-3-ol (CID 14832127) is 1,7-dioxaspiro[5.5]undec-4-en-3-ol.
What is the SMILES notation for 1,7-dioxaspiro[5.5]undec-4-en-3-ol?
The canonical SMILES for 1,7-dioxaspiro[5.5]undec-4-en-3-ol is OC1C=CC2(CCCCO2)OC1.
What is the InChIKey of 1,7-dioxaspiro[5.5]undec-4-en-3-ol?
The InChIKey is DOQGZFACPUVUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-8-3-5-9(12-7-8)4-1-2-6-11-9/h3,5,8,10H,1-2,4,6-7H2.
What are the key properties of 1,7-dioxaspiro[5.5]undec-4-en-3-ol?
1,7-dioxaspiro[5.5]undec-4-en-3-ol has a molecular weight of 170.21 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dioxaspiro[5.5]undec-4-en-3-ol is sourced from PubChem (CID 14832127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).