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'}

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Related Compounds

(1R,5S)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]hept-2-ene;ethane
CID 142872108
1,2-bis(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethane-1,2-diol
CID 573227
1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-[4-[3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-hydroxyprop-1-ynyl]phenyl]prop-2-yn-1-ol
CID 122213421
[1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-5-phenylpentoxy]-trimethylsilane
CID 164669227
carbon monoxide;[(3E)-4-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]buta-1,3-dien-2-yl]oxy-trimethylsilane;iron
CID 11112184
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl prop-2-enoate
CID 118470939
[[dimethyl(prop-2-enyl)silyl]oxy-silylmethoxy]-dimethyl-prop-2-enylsilane
CID 173191549
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium
CID 14634830
3-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]propanoic acid
CID 130925830
2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 130113616
6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 58426752
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
CID 101193017

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).