1,4-dioxaspiro[4.5]decane

C8H14O2 — CID 9093

IUPAC1,4-dioxaspiro[4.5]decane
SMILESC1CCC2(CC1)OCCO2
InChIInChI=1S/C8H14O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2
InChIKeyGZGPRZYZKBQPBQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.69
Rot. Bonds

About 1,4-dioxaspiro[4.5]decane

1,4-dioxaspiro[4.5]decane (PubChem CID 9093) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decane
PubChem CID9093
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1,4-dioxaspiro[4.5]decane
SMILESC1CCC2(CC1)OCCO2
InChIInChI=1S/C8H14O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2
InChIKeyGZGPRZYZKBQPBQ-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decane?
The IUPAC name of 1,4-dioxaspiro[4.5]decane (CID 9093) is 1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 1,4-dioxaspiro[4.5]decane is C1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]decane?
The InChIKey is GZGPRZYZKBQPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2.
What are the key properties of 1,4-dioxaspiro[4.5]decane?
1,4-dioxaspiro[4.5]decane has a molecular weight of 142.20 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 9093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).