4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one

C10H12O4 — CID 101405544

IUPAC4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one
SMILESO=C1C=CC2(CCCC23OCCO3)O1
InChIInChI=1S/C10H12O4/c11-8-2-5-9(14-8)3-1-4-10(9)12-6-7-13-10/h2,5H,1,3-4,6-7H2
InChIKeyVJDONBFGLUNSLK-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.77
Rot. Bonds

About 4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one

4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one (PubChem CID 101405544) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one.

Molecular Properties

Compound Name4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one
PubChem CID101405544
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one
SMILESO=C1C=CC2(CCCC23OCCO3)O1
InChIInChI=1S/C10H12O4/c11-8-2-5-9(14-8)3-1-4-10(9)12-6-7-13-10/h2,5H,1,3-4,6-7H2
InChIKeyVJDONBFGLUNSLK-UHFFFAOYSA-N
XLogP0.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one?
The IUPAC name of 4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one (CID 101405544) is 4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one.
What is the SMILES notation for 4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one?
The canonical SMILES for 4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one is O=C1C=CC2(CCCC23OCCO3)O1.
What is the InChIKey of 4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one?
The InChIKey is VJDONBFGLUNSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-8-2-5-9(14-8)3-1-4-10(9)12-6-7-13-10/h2,5H,1,3-4,6-7H2.
What are the key properties of 4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one?
4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one has a molecular weight of 196.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,10-trioxadispiro[4.0.46.35]tridec-1-en-3-one is sourced from PubChem (CID 101405544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).