4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene

C13H16O2 — CID 58427903

IUPAC4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene
SMILESC=C1C(=C)C2C=CC1C1OC(C)(C)OC21
InChIInChI=1S/C13H16O2/c1-7-8(2)10-6-5-9(7)11-12(10)15-13(3,4)14-11/h5-6,9-12H,1-2H2,3-4H3
InChIKeyIQMURQRPZRVASB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.43
Rot. Bonds

About 4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene

4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene (PubChem CID 58427903) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene.

Molecular Properties

Compound Name4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene
PubChem CID58427903
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene
SMILESC=C1C(=C)C2C=CC1C1OC(C)(C)OC21
InChIInChI=1S/C13H16O2/c1-7-8(2)10-6-5-9(7)11-12(10)15-13(3,4)14-11/h5-6,9-12H,1-2H2,3-4H3
InChIKeyIQMURQRPZRVASB-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene?
The IUPAC name of 4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene (CID 58427903) is 4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene.
What is the SMILES notation for 4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene?
The canonical SMILES for 4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene is C=C1C(=C)C2C=CC1C1OC(C)(C)OC21.
What is the InChIKey of 4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene?
The InChIKey is IQMURQRPZRVASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-7-8(2)10-6-5-9(7)11-12(10)15-13(3,4)14-11/h5-6,9-12H,1-2H2,3-4H3.
What are the key properties of 4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene?
4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene has a molecular weight of 204.27 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-10,11-dimethylidene-3,5-dioxatricyclo[5.2.2.02,6]undec-8-ene is sourced from PubChem (CID 58427903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).