2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene

C15H22O — CID 579073

IUPAC2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene
SMILESC=C1COC23CC1CCC2(C)CCC=C3C
InChIInChI=1S/C15H22O/c1-11-10-16-15-9-13(11)6-8-14(15,3)7-4-5-12(15)2/h5,13H,1,4,6-10H2,2-3H3
InChIKeyVBXNDZXATCMJKH-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds

About 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene

2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene (PubChem CID 579073) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene.

Molecular Properties

Compound Name2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene
PubChem CID579073
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene
SMILESC=C1COC23CC1CCC2(C)CCC=C3C
InChIInChI=1S/C15H22O/c1-11-10-16-15-9-13(11)6-8-14(15,3)7-4-5-12(15)2/h5,13H,1,4,6-10H2,2-3H3
InChIKeyVBXNDZXATCMJKH-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene 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 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene?
The IUPAC name of 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene (CID 579073) is 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene.
What is the SMILES notation for 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene?
The canonical SMILES for 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene is C=C1COC23CC1CCC2(C)CCC=C3C.
What is the InChIKey of 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene?
The InChIKey is VBXNDZXATCMJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11-10-16-15-9-13(11)6-8-14(15,3)7-4-5-12(15)2/h5,13H,1,4,6-10H2,2-3H3.
What are the key properties of 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene?
2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene has a molecular weight of 218.34 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-10-methylidene-12-oxatricyclo[7.3.1.01,6]tridec-2-ene is sourced from PubChem (CID 579073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).