7,10-dioxadispiro[4.0.46.55]pentadecan-3-one

C13H20O3 — CID 10609189

IUPAC7,10-dioxadispiro[4.0.46.55]pentadecan-3-one
SMILESO=C1CCC2(CCCCCC23OCCO3)C1
InChIInChI=1S/C13H20O3/c14-11-4-7-12(10-11)5-2-1-3-6-13(12)15-8-9-16-13/h1-10H2
InChIKeyJDOFAYKOUCMFJU-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.43
Rot. Bonds

About 7,10-dioxadispiro[4.0.46.55]pentadecan-3-one

7,10-dioxadispiro[4.0.46.55]pentadecan-3-one (PubChem CID 10609189) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 7,10-dioxadispiro[4.0.46.55]pentadecan-3-one.

Molecular Properties

Compound Name7,10-dioxadispiro[4.0.46.55]pentadecan-3-one
PubChem CID10609189
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name7,10-dioxadispiro[4.0.46.55]pentadecan-3-one
SMILESO=C1CCC2(CCCCCC23OCCO3)C1
InChIInChI=1S/C13H20O3/c14-11-4-7-12(10-11)5-2-1-3-6-13(12)15-8-9-16-13/h1-10H2
InChIKeyJDOFAYKOUCMFJU-UHFFFAOYSA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,10-dioxadispiro[4.0.46.55]pentadecan-3-one?
The IUPAC name of 7,10-dioxadispiro[4.0.46.55]pentadecan-3-one (CID 10609189) is 7,10-dioxadispiro[4.0.46.55]pentadecan-3-one.
What is the SMILES notation for 7,10-dioxadispiro[4.0.46.55]pentadecan-3-one?
The canonical SMILES for 7,10-dioxadispiro[4.0.46.55]pentadecan-3-one is O=C1CCC2(CCCCCC23OCCO3)C1.
What is the InChIKey of 7,10-dioxadispiro[4.0.46.55]pentadecan-3-one?
The InChIKey is JDOFAYKOUCMFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-11-4-7-12(10-11)5-2-1-3-6-13(12)15-8-9-16-13/h1-10H2.
What are the key properties of 7,10-dioxadispiro[4.0.46.55]pentadecan-3-one?
7,10-dioxadispiro[4.0.46.55]pentadecan-3-one has a molecular weight of 224.30 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dioxadispiro[4.0.46.55]pentadecan-3-one is sourced from PubChem (CID 10609189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).