1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol

C9H14O3 — CID 15004480

IUPAC1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol
SMILESOCC1=CC2(CCC1)OCCO2
InChIInChI=1S/C9H14O3/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h6,10H,1-5,7H2
InChIKeyJXRMCHLSCBIEBH-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.83
Rot. Bonds1

About 1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol

1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol (PubChem CID 15004480) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol
PubChem CID15004480
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol
SMILESOCC1=CC2(CCC1)OCCO2
InChIInChI=1S/C9H14O3/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h6,10H,1-5,7H2
InChIKeyJXRMCHLSCBIEBH-UHFFFAOYSA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol?
The IUPAC name of 1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol (CID 15004480) is 1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol.
What is the SMILES notation for 1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol?
The canonical SMILES for 1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol is OCC1=CC2(CCC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol?
The InChIKey is JXRMCHLSCBIEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-7-8-2-1-3-9(6-8)11-4-5-12-9/h6,10H,1-5,7H2.
What are the key properties of 1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol?
1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol has a molecular weight of 170.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]dec-6-en-7-ylmethanol is sourced from PubChem (CID 15004480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).