trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane

C21H30OSi2 — CID 10618142

IUPACtrimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane
SMILESC[Si](C)(C)OC1=CC(/C=C(\C#Cc2ccccc2)[Si](C)(C)C)CC1
InChIInChI=1S/C21H30OSi2/c1-23(2,3)21(15-13-18-10-8-7-9-11-18)17-19-12-14-20(16-19)22-24(4,5)6/h7-11,16-17,19H,12,14H2,1-6H3/b21-17+
InChIKeyRWQDDUKDHFPVTC-HEHNFIMWSA-N
MW354.64 g/mol
LogP5.99
Rot. Bonds4

About trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane

trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane (PubChem CID 10618142) has the molecular formula C21H30OSi2 and a molecular weight of 354.64 g/mol. Its IUPAC name is trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane
PubChem CID10618142
Molecular FormulaC21H30OSi2
Molecular Weight354.64 g/mol
Exact Mass354.18
IUPAC Nametrimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane
SMILESC[Si](C)(C)OC1=CC(/C=C(\C#Cc2ccccc2)[Si](C)(C)C)CC1
InChIInChI=1S/C21H30OSi2/c1-23(2,3)21(15-13-18-10-8-7-9-11-18)17-19-12-14-20(16-19)22-24(4,5)6/h7-11,16-17,19H,12,14H2,1-6H3/b21-17+
InChIKeyRWQDDUKDHFPVTC-HEHNFIMWSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.64
LogP ≤ 55.99
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-[(E)-3-trimethylsilyl-4-(3-trimethylsilyloxycyclohept-2-en-1-yl)but-3-en-1-ynyl]silane
CID 10762233
trimethyl-[3-[(Z)-2-phenylethenyl]cyclopenten-1-yl]oxysilane
CID 15448421
1,6-diphenylhex-3-en-1,5-diyne-3,4-dithiol
CID 72543052
trimethyl-(3-naphthalen-1-ylcyclohexen-1-yl)oxysilane
CID 15366208
trimethyl(5-phenylpent-1-en-4-yn-2-yl)silane
CID 101197462
trimethyl-[(4R)-4-(phenylmethoxymethyl)cyclohexen-1-yl]oxysilane
CID 10613492
[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
CID 102191460
palladium;bis(3-phenylprop-2-ynoic acid)
CID 139238294
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
[(Z)-6,6-dimethyl-1-phenylhept-4-en-1-yn-4-yl]-trimethylsilane
CID 101354563
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
trimethyl-[(1R,2R)-2-methyl-1-(2-phenylethynyl)cyclopentyl]oxysilane
CID 134942107

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane?
The IUPAC name of trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane (CID 10618142) is trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane?
The canonical SMILES for trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane is C[Si](C)(C)OC1=CC(/C=C(\C#Cc2ccccc2)[Si](C)(C)C)CC1.
What is the InChIKey of trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane?
The InChIKey is RWQDDUKDHFPVTC-HEHNFIMWSA-N. The full InChI is InChI=1S/C21H30OSi2/c1-23(2,3)21(15-13-18-10-8-7-9-11-18)17-19-12-14-20(16-19)22-24(4,5)6/h7-11,16-17,19H,12,14H2,1-6H3/b21-17+.
What are the key properties of trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane?
trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane has a molecular weight of 354.64 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(E)-4-phenyl-2-trimethylsilylbut-1-en-3-ynyl]cyclopenten-1-yl]oxysilane is sourced from PubChem (CID 10618142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).