trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane

C17H32OSi2 — CID 14635035

IUPACtrimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
SMILESCC1=C(O[Si](C)(C)C)CCCC1CCC#C[Si](C)(C)C
InChIInChI=1S/C17H32OSi2/c1-15-16(11-8-9-14-19(2,3)4)12-10-13-17(15)18-20(5,6)7/h16H,8,10-13H2,1-7H3
InChIKeyFWVLZKSYGAFXHX-UHFFFAOYSA-N
MW308.61 g/mol
LogP5.57
Rot. Bonds4

About trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane

trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane (PubChem CID 14635035) has the molecular formula C17H32OSi2 and a molecular weight of 308.61 g/mol. Its IUPAC name is trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
PubChem CID14635035
Molecular FormulaC17H32OSi2
Molecular Weight308.61 g/mol
Exact Mass308.20
IUPAC Nametrimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
SMILESCC1=C(O[Si](C)(C)C)CCCC1CCC#C[Si](C)(C)C
InChIInChI=1S/C17H32OSi2/c1-15-16(11-8-9-14-19(2,3)4)12-10-13-17(15)18-20(5,6)7/h16H,8,10-13H2,1-7H3
InChIKeyFWVLZKSYGAFXHX-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.61
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane
CID 10016413
[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11244074
Trimethyl-[3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635032
[(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane
CID 134857047
[(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane
CID 134939335
triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane
CID 134956682
(3-Butylcyclohexen-1-yl)oxy-triethylsilane
CID 15254772
tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane
CID 10516145
[3-[(E)-2,4-bis(trimethylsilyl)but-1-en-3-ynyl]-2-cyclohexylcyclopenten-1-yl]oxy-trimethylsilane
CID 10574782
trimethyl-[(1E)-1-[2-(4-trimethylsilylbut-3-ynyl)cyclopentylidene]ethoxy]silane
CID 10662619
[(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 10778262
2,3,4,4a,5,6,7,8-Octahydronaphthalen-1-yloxy-tert-butyl-dimethylsilane
CID 10912481

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane?
The IUPAC name of trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane (CID 14635035) is trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane is CC1=C(O[Si](C)(C)C)CCCC1CCC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane?
The InChIKey is FWVLZKSYGAFXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi2/c1-15-16(11-8-9-14-19(2,3)4)12-10-13-17(15)18-20(5,6)7/h16H,8,10-13H2,1-7H3.
What are the key properties of trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane?
trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane has a molecular weight of 308.61 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 14635035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).