6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one

C8H10O3 — CID 130038229

IUPAC6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one
SMILESCC1(C)C2OC2C(=O)C2OC21
InChIInChI=1S/C8H10O3/c1-8(2)6-4(10-6)3(9)5-7(8)11-5/h4-7H,1-2H3
InChIKeyDFHKOPQVJCEVJG-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.13
Rot. Bonds

About 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one

6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one (PubChem CID 130038229) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one.

Molecular Properties

Compound Name6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one
PubChem CID130038229
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one
SMILESCC1(C)C2OC2C(=O)C2OC21
InChIInChI=1S/C8H10O3/c1-8(2)6-4(10-6)3(9)5-7(8)11-5/h4-7H,1-2H3
InChIKeyDFHKOPQVJCEVJG-UHFFFAOYSA-N
XLogP0.13
TPSA42.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one with MolForge

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Related Compounds

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CID 45157469

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one?
The IUPAC name of 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one (CID 130038229) is 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one.
What is the SMILES notation for 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one?
The canonical SMILES for 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one is CC1(C)C2OC2C(=O)C2OC21.
What is the InChIKey of 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one?
The InChIKey is DFHKOPQVJCEVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-8(2)6-4(10-6)3(9)5-7(8)11-5/h4-7H,1-2H3.
What are the key properties of 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one?
6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one has a molecular weight of 154.16 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4,8-dioxatricyclo[5.1.0.03,5]octan-2-one is sourced from PubChem (CID 130038229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).