1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane

C17H26OSi — CID 101266251

IUPAC1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane
SMILESC#CC(O[Si](C)(C)CC=C)C1=CCC2CC1C2(C)C
InChIInChI=1S/C17H26OSi/c1-7-11-19(5,6)18-16(8-2)14-10-9-13-12-15(14)17(13,3)4/h2,7,10,13,15-16H,1,9,11-12H2,3-6H3
InChIKeyYHBJHRFLVZQZBU-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.39
Rot. Bonds5

About 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane

1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane (PubChem CID 101266251) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane
PubChem CID101266251
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane
SMILESC#CC(O[Si](C)(C)CC=C)C1=CCC2CC1C2(C)C
InChIInChI=1S/C17H26OSi/c1-7-11-19(5,6)18-16(8-2)14-10-9-13-12-15(14)17(13,3)4/h2,7,10,13,15-16H,1,9,11-12H2,3-6H3
InChIKeyYHBJHRFLVZQZBU-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane 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 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane?
The IUPAC name of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane (CID 101266251) is 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane.
What is the SMILES notation for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane?
The canonical SMILES for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane is C#CC(O[Si](C)(C)CC=C)C1=CCC2CC1C2(C)C.
What is the InChIKey of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane?
The InChIKey is YHBJHRFLVZQZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-7-11-19(5,6)18-16(8-2)14-10-9-13-12-15(14)17(13,3)4/h2,7,10,13,15-16H,1,9,11-12H2,3-6H3.
What are the key properties of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane?
1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane has a molecular weight of 274.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-ynoxy-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 101266251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).