4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one

C8H10O5 — CID 58226012

IUPAC4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
SMILESCC1OC2OC3CC(=O)OC3C2O1
InChIInChI=1S/C8H10O5/c1-3-10-7-6-4(2-5(9)13-6)12-8(7)11-3/h3-4,6-8H,2H2,1H3
InChIKeyBZJQWSXPBMEXEZ-UHFFFAOYSA-N
MW186.16 g/mol
LogP-0.21
Rot. Bonds

About 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one

4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one (PubChem CID 58226012) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one.

Molecular Properties

Compound Name4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
PubChem CID58226012
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one
SMILESCC1OC2OC3CC(=O)OC3C2O1
InChIInChI=1S/C8H10O5/c1-3-10-7-6-4(2-5(9)13-6)12-8(7)11-3/h3-4,6-8H,2H2,1H3
InChIKeyBZJQWSXPBMEXEZ-UHFFFAOYSA-N
XLogP-0.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-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 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
The IUPAC name of 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one (CID 58226012) is 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one.
What is the SMILES notation for 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
The canonical SMILES for 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one is CC1OC2OC3CC(=O)OC3C2O1.
What is the InChIKey of 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
The InChIKey is BZJQWSXPBMEXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-3-10-7-6-4(2-5(9)13-6)12-8(7)11-3/h3-4,6-8H,2H2,1H3.
What are the key properties of 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one?
4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one has a molecular weight of 186.16 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one is sourced from PubChem (CID 58226012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).