trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane

C19H36OSi2 — CID 11110491

IUPACtrimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
SMILESCC1=C(O[Si](C)(C)C)CC[C@@H](C)[C@]1(C)CCC#C[Si](C)(C)C
InChIInChI=1S/C19H36OSi2/c1-16-12-13-18(20-22(7,8)9)17(2)19(16,3)14-10-11-15-21(4,5)6/h16H,10,12-14H2,1-9H3/t16-,19+/m1/s1
InChIKeyIFJAIRAIIOKQLD-APWZRJJASA-N
MW336.67 g/mol
LogP6.21
Rot. Bonds4

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

trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane (PubChem CID 11110491) has the molecular formula C19H36OSi2 and a molecular weight of 336.67 g/mol. Its IUPAC name is trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
PubChem CID11110491
Molecular FormulaC19H36OSi2
Molecular Weight336.67 g/mol
Exact Mass336.23
IUPAC Nametrimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
SMILESCC1=C(O[Si](C)(C)C)CC[C@@H](C)[C@]1(C)CCC#C[Si](C)(C)C
InChIInChI=1S/C19H36OSi2/c1-16-12-13-18(20-22(7,8)9)17(2)19(16,3)14-10-11-15-21(4,5)6/h16H,10,12-14H2,1-9H3/t16-,19+/m1/s1
InChIKeyIFJAIRAIIOKQLD-APWZRJJASA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.67
LogP ≤ 56.21
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'}

Analyze trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane with MolForge

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Related Compounds

trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane
CID 10016413
Trimethyl-[3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635032
Trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635035
[(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane
CID 134857047
[(3R,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922420
[(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922499
[(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
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
[4-Ethyl-3-methyl-4-(2-trimethylsilylethynyl)cyclohexen-1-yl]oxy-trimethylsilane
CID 160029478
2-(1-Ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethynyl-tri(propan-2-yl)silane
CID 162210534
Trimethyl-[3-methyl-4-(2-trimethylsilylethynyl)-4-[2-tri(propan-2-yl)silylethynyl]cyclohexen-1-yl]oxysilane
CID 162258753

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane?
The IUPAC name of trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane (CID 11110491) is trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane is CC1=C(O[Si](C)(C)C)CC[C@@H](C)[C@]1(C)CCC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane?
The InChIKey is IFJAIRAIIOKQLD-APWZRJJASA-N. The full InChI is InChI=1S/C19H36OSi2/c1-16-12-13-18(20-22(7,8)9)17(2)19(16,3)14-10-11-15-21(4,5)6/h16H,10,12-14H2,1-9H3/t16-,19+/m1/s1.
What are the key properties of trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane?
trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane has a molecular weight of 336.67 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 11110491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).