1,4-dioxaspiro[4.5]decan-8-ylidenemethanol

C9H14O3 — CID 10695236

IUPAC1,4-dioxaspiro[4.5]decan-8-ylidenemethanol
SMILESOC=C1CCC2(CC1)OCCO2
InChIInChI=1S/C9H14O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h7,10H,1-6H2
InChIKeyDMSMTSYYXGUMTI-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.75
Rot. Bonds

About 1,4-dioxaspiro[4.5]decan-8-ylidenemethanol

1,4-dioxaspiro[4.5]decan-8-ylidenemethanol (PubChem CID 10695236) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decan-8-ylidenemethanol.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decan-8-ylidenemethanol
PubChem CID10695236
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1,4-dioxaspiro[4.5]decan-8-ylidenemethanol
SMILESOC=C1CCC2(CC1)OCCO2
InChIInChI=1S/C9H14O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h7,10H,1-6H2
InChIKeyDMSMTSYYXGUMTI-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylidenemethanol?
The IUPAC name of 1,4-dioxaspiro[4.5]decan-8-ylidenemethanol (CID 10695236) is 1,4-dioxaspiro[4.5]decan-8-ylidenemethanol.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decan-8-ylidenemethanol?
The canonical SMILES for 1,4-dioxaspiro[4.5]decan-8-ylidenemethanol is OC=C1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]decan-8-ylidenemethanol?
The InChIKey is DMSMTSYYXGUMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h7,10H,1-6H2.
What are the key properties of 1,4-dioxaspiro[4.5]decan-8-ylidenemethanol?
1,4-dioxaspiro[4.5]decan-8-ylidenemethanol has a molecular weight of 170.21 g/mol, XLogP of 1.75, 0 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]decan-8-ylidenemethanol is sourced from PubChem (CID 10695236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).