trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane

C20H38OSi3 — CID 10762233

IUPACtrimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane
SMILESC[Si](C)(C)C#C/C(=C\C1C=C(O[Si](C)(C)C)CCCC1)[Si](C)(C)C
InChIInChI=1S/C20H38OSi3/c1-22(2,3)15-14-20(23(4,5)6)17-18-12-10-11-13-19(16-18)21-24(7,8)9/h16-18H,10-13H2,1-9H3/b20-17+
InChIKeyHMSOVVRGBHJONL-LVZFUZTISA-N
MW378.78 g/mol
LogP6.60
Rot. Bonds4

About trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane

trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane (PubChem CID 10762233) has the molecular formula C20H38OSi3 and a molecular weight of 378.78 g/mol. Its IUPAC name is trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane
PubChem CID10762233
Molecular FormulaC20H38OSi3
Molecular Weight378.78 g/mol
Exact Mass378.22
IUPAC Nametrimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane
SMILESC[Si](C)(C)C#C/C(=C\C1C=C(O[Si](C)(C)C)CCCC1)[Si](C)(C)C
InChIInChI=1S/C20H38OSi3/c1-22(2,3)15-14-20(23(4,5)6)17-18-12-10-11-13-19(16-18)21-24(7,8)9/h16-18H,10-13H2,1-9H3/b20-17+
InChIKeyHMSOVVRGBHJONL-LVZFUZTISA-N
XLogP6.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.78
LogP ≤ 56.60
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-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane
CID 10618142
(3-butylcyclohexen-1-yl)oxy-trimethylsilane
CID 597983
trimethyl-[3-(3-trimethylsilyloxycyclohex-2-en-1-yl)propyl]silane
CID 15505011
3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yloxy(trimethyl)silane
CID 15609196
(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one
CID 11739269
trimethyl-[3-[(Z)-2-phenylethenyl]cyclopenten-1-yl]oxysilane
CID 15448421
[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane
CID 101214644
trimethyl-[3-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohepten-1-yl]oxysilane
CID 46848361
trimethyl-(3-thiophen-3-ylcyclohexen-1-yl)oxysilane
CID 10562803
trimethyl-[[(2E,8E)-1-methyl-1-oxo-8-trimethylsilyloxy-4,5,6,7-tetrahydro-1λ5-phosphonin-3-yl]oxy]silane
CID 23415932
2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile
CID 11207183
[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
CID 15547914

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane?
The IUPAC name of trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane (CID 10762233) is trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane is C[Si](C)(C)C#C/C(=C\C1C=C(O[Si](C)(C)C)CCCC1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane?
The InChIKey is HMSOVVRGBHJONL-LVZFUZTISA-N. The full InChI is InChI=1S/C20H38OSi3/c1-22(2,3)15-14-20(23(4,5)6)17-18-12-10-11-13-19(16-18)21-24(7,8)9/h16-18H,10-13H2,1-9H3/b20-17+.
What are the key properties of trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane?
trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane has a molecular weight of 378.78 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane is sourced from PubChem (CID 10762233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).