6,9-dioxaspiro[4.5]decane

C8H14O2 — CID 118209792

IUPAC6,9-dioxaspiro[4.5]decane
SMILESC1CCC2(C1)COCCO2
InChIInChI=1S/C8H14O2/c1-2-4-8(3-1)7-9-5-6-10-8/h1-7H2
InChIKeyPXTBIJRXEGACAM-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.35
Rot. Bonds

About 6,9-dioxaspiro[4.5]decane

6,9-dioxaspiro[4.5]decane (PubChem CID 118209792) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6,9-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6,9-dioxaspiro[4.5]decane
PubChem CID118209792
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6,9-dioxaspiro[4.5]decane
SMILESC1CCC2(C1)COCCO2
InChIInChI=1S/C8H14O2/c1-2-4-8(3-1)7-9-5-6-10-8/h1-7H2
InChIKeyPXTBIJRXEGACAM-UHFFFAOYSA-N
XLogP1.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,9-dioxaspiro[4.5]decane?
The IUPAC name of 6,9-dioxaspiro[4.5]decane (CID 118209792) is 6,9-dioxaspiro[4.5]decane.
What is the SMILES notation for 6,9-dioxaspiro[4.5]decane?
The canonical SMILES for 6,9-dioxaspiro[4.5]decane is C1CCC2(C1)COCCO2.
What is the InChIKey of 6,9-dioxaspiro[4.5]decane?
The InChIKey is PXTBIJRXEGACAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-4-8(3-1)7-9-5-6-10-8/h1-7H2.
What are the key properties of 6,9-dioxaspiro[4.5]decane?
6,9-dioxaspiro[4.5]decane has a molecular weight of 142.20 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dioxaspiro[4.5]decane is sourced from PubChem (CID 118209792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).