2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one

C11H16O5 — CID 12632409

IUPAC2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one
SMILESO=C1C2(CCC13COCOC3)COCOC2
InChIInChI=1S/C11H16O5/c12-9-10(3-13-7-14-4-10)1-2-11(9)5-15-8-16-6-11/h1-8H2
InChIKeyBFEKLWMPMUNSCD-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.33
Rot. Bonds

About 2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one

2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one (PubChem CID 12632409) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one.

Molecular Properties

Compound Name2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one
PubChem CID12632409
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one
SMILESO=C1C2(CCC13COCOC3)COCOC2
InChIInChI=1S/C11H16O5/c12-9-10(3-13-7-14-4-10)1-2-11(9)5-15-8-16-6-11/h1-8H2
InChIKeyBFEKLWMPMUNSCD-UHFFFAOYSA-N
XLogP0.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one?
The IUPAC name of 2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one (CID 12632409) is 2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one.
What is the SMILES notation for 2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one?
The canonical SMILES for 2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one is O=C1C2(CCC13COCOC3)COCOC2.
What is the InChIKey of 2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one?
The InChIKey is BFEKLWMPMUNSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c12-9-10(3-13-7-14-4-10)1-2-11(9)5-15-8-16-6-11/h1-8H2.
What are the key properties of 2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one?
2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one has a molecular weight of 228.24 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,10,12-tetraoxadispiro[5.1.58.26]pentadecan-7-one is sourced from PubChem (CID 12632409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).