7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one

C12H14O3 — CID 134982117

IUPAC7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one
SMILESCC1=C2COCC2=C2COCC2CC1=O
InChIInChI=1S/C12H14O3/c1-7-9-4-15-6-11(9)10-5-14-3-8(10)2-12(7)13/h8H,2-6H2,1H3
InChIKeyDRNOKZFXZGQAGK-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.25
Rot. Bonds

About 7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one

7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one (PubChem CID 134982117) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one.

Molecular Properties

Compound Name7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one
PubChem CID134982117
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one
SMILESCC1=C2COCC2=C2COCC2CC1=O
InChIInChI=1S/C12H14O3/c1-7-9-4-15-6-11(9)10-5-14-3-8(10)2-12(7)13/h8H,2-6H2,1H3
InChIKeyDRNOKZFXZGQAGK-UHFFFAOYSA-N
XLogP1.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one?
The IUPAC name of 7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one (CID 134982117) is 7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one.
What is the SMILES notation for 7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one?
The canonical SMILES for 7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one is CC1=C2COCC2=C2COCC2CC1=O.
What is the InChIKey of 7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one?
The InChIKey is DRNOKZFXZGQAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-9-4-15-6-11(9)10-5-14-3-8(10)2-12(7)13/h8H,2-6H2,1H3.
What are the key properties of 7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one?
7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one has a molecular weight of 206.24 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,12-dioxatricyclo[8.3.0.02,6]trideca-1,6-dien-8-one is sourced from PubChem (CID 134982117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).