1,6-dioxaspiro[4.5]decan-9-ol

C8H14O3 — CID 10975764

IUPAC1,6-dioxaspiro[4.5]decan-9-ol
SMILESOC1CCOC2(CCCO2)C1
InChIInChI=1S/C8H14O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h7,9H,1-6H2
InChIKeyHMMAOKRBIYSPTB-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.66
Rot. Bonds

About 1,6-dioxaspiro[4.5]decan-9-ol

1,6-dioxaspiro[4.5]decan-9-ol (PubChem CID 10975764) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,6-dioxaspiro[4.5]decan-9-ol.

Molecular Properties

Compound Name1,6-dioxaspiro[4.5]decan-9-ol
PubChem CID10975764
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1,6-dioxaspiro[4.5]decan-9-ol
SMILESOC1CCOC2(CCCO2)C1
InChIInChI=1S/C8H14O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h7,9H,1-6H2
InChIKeyHMMAOKRBIYSPTB-UHFFFAOYSA-N
XLogP0.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dioxaspiro[4.5]decan-9-ol?
The IUPAC name of 1,6-dioxaspiro[4.5]decan-9-ol (CID 10975764) is 1,6-dioxaspiro[4.5]decan-9-ol.
What is the SMILES notation for 1,6-dioxaspiro[4.5]decan-9-ol?
The canonical SMILES for 1,6-dioxaspiro[4.5]decan-9-ol is OC1CCOC2(CCCO2)C1.
What is the InChIKey of 1,6-dioxaspiro[4.5]decan-9-ol?
The InChIKey is HMMAOKRBIYSPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h7,9H,1-6H2.
What are the key properties of 1,6-dioxaspiro[4.5]decan-9-ol?
1,6-dioxaspiro[4.5]decan-9-ol has a molecular weight of 158.20 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxaspiro[4.5]decan-9-ol is sourced from PubChem (CID 10975764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).