2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol

C10H16O3 — CID 10976162

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol
SMILESOCC=C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O3/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h3,11H,1-2,4-8H2
InChIKeyFZDKNEOUCWHORQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.22
Rot. Bonds1

About 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol

2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol (PubChem CID 10976162) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol
PubChem CID10976162
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol
SMILESOCC=C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O3/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h3,11H,1-2,4-8H2
InChIKeyFZDKNEOUCWHORQ-UHFFFAOYSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.22
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 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol (CID 10976162) is 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol is OCC=C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol?
The InChIKey is FZDKNEOUCWHORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h3,11H,1-2,4-8H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol?
2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol has a molecular weight of 184.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)ethanol is sourced from PubChem (CID 10976162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).