5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one

C11H12O3 — CID 89277830

IUPAC5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one
SMILESC=C1OCC2C1CC1C(=C)OC(=O)C12
InChIInChI=1S/C11H12O3/c1-5-7-3-8-6(2)14-11(12)10(8)9(7)4-13-5/h7-10H,1-4H2
InChIKeyVRHOBYXKRNZELD-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.47
Rot. Bonds

About 5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one

5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one (PubChem CID 89277830) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one.

Molecular Properties

Compound Name5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one
PubChem CID89277830
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one
SMILESC=C1OCC2C1CC1C(=C)OC(=O)C12
InChIInChI=1S/C11H12O3/c1-5-7-3-8-6(2)14-11(12)10(8)9(7)4-13-5/h7-10H,1-4H2
InChIKeyVRHOBYXKRNZELD-UHFFFAOYSA-N
XLogP1.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one?
The IUPAC name of 5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one (CID 89277830) is 5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one.
What is the SMILES notation for 5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one?
The canonical SMILES for 5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one is C=C1OCC2C1CC1C(=C)OC(=O)C12.
What is the InChIKey of 5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one?
The InChIKey is VRHOBYXKRNZELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-5-7-3-8-6(2)14-11(12)10(8)9(7)4-13-5/h7-10H,1-4H2.
What are the key properties of 5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one?
5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one has a molecular weight of 192.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethylidene-4,10-dioxatricyclo[6.3.0.02,6]undecan-3-one is sourced from PubChem (CID 89277830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).