1,4-dioxaspiro[4.8]tridecan-8-one

C11H18O3 — CID 67638238

IUPAC1,4-dioxaspiro[4.8]tridecan-8-one
SMILESO=C1CCCCCC2(CC1)OCCO2
InChIInChI=1S/C11H18O3/c12-10-4-2-1-3-6-11(7-5-10)13-8-9-14-11/h1-9H2
InChIKeyVUDQPGPAFMBQRE-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.04
Rot. Bonds

About 1,4-dioxaspiro[4.8]tridecan-8-one

1,4-dioxaspiro[4.8]tridecan-8-one (PubChem CID 67638238) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.8]tridecan-8-one.

Molecular Properties

Compound Name1,4-dioxaspiro[4.8]tridecan-8-one
PubChem CID67638238
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1,4-dioxaspiro[4.8]tridecan-8-one
SMILESO=C1CCCCCC2(CC1)OCCO2
InChIInChI=1S/C11H18O3/c12-10-4-2-1-3-6-11(7-5-10)13-8-9-14-11/h1-9H2
InChIKeyVUDQPGPAFMBQRE-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4-dioxaspiro[4.8]tridecan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.8]tridecan-8-one?
The IUPAC name of 1,4-dioxaspiro[4.8]tridecan-8-one (CID 67638238) is 1,4-dioxaspiro[4.8]tridecan-8-one.
What is the SMILES notation for 1,4-dioxaspiro[4.8]tridecan-8-one?
The canonical SMILES for 1,4-dioxaspiro[4.8]tridecan-8-one is O=C1CCCCCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.8]tridecan-8-one?
The InChIKey is VUDQPGPAFMBQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10-4-2-1-3-6-11(7-5-10)13-8-9-14-11/h1-9H2.
What are the key properties of 1,4-dioxaspiro[4.8]tridecan-8-one?
1,4-dioxaspiro[4.8]tridecan-8-one has a molecular weight of 198.26 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.8]tridecan-8-one is sourced from PubChem (CID 67638238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).