triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane

C27H54OSi3 — CID 134945499

IUPACtriethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane
SMILESC=CCC(/C=C(\CC#C[Si](CC)(CC)CC)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C27H54OSi3/c1-11-22-26(28-31(18-8,19-9)20-10)25-27(30(15-5,16-6)17-7)23-21-24-29(12-2,13-3)14-4/h11,25-26H,1,12-20,22-23H2,2-10H3/b27-25+
InChIKeySULROXQGSAWPAQ-IMVLJIQESA-N
MW478.99 g/mol
LogP9.37
Rot. Bonds16

About triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane

triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane (PubChem CID 134945499) has the molecular formula C27H54OSi3 and a molecular weight of 478.99 g/mol. Its IUPAC name is triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane.

Molecular Properties

Compound Nametriethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane
PubChem CID134945499
Molecular FormulaC27H54OSi3
Molecular Weight478.99 g/mol
Exact Mass478.35
IUPAC Nametriethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane
SMILESC=CCC(/C=C(\CC#C[Si](CC)(CC)CC)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C27H54OSi3/c1-11-22-26(28-31(18-8,19-9)20-10)25-27(30(15-5,16-6)17-7)23-21-24-29(12-2,13-3)14-4/h11,25-26H,1,12-20,22-23H2,2-10H3/b27-25+
InChIKeySULROXQGSAWPAQ-IMVLJIQESA-N
XLogP9.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.99
LogP ≤ 59.37
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

1,8-cis-Undecadien-5-yne 3,7-bis-trimethylsilyl ether
CID 91696575
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Trihexylsilyloxyoct-3-ene
CID 5353195
2-Tributylsilyloxyoct-3-ene
CID 5353200
[(1S)-cyclohex-2-en-1-yl]oxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 11393435
tert-butyl-[(E)-4,4-dimethyl-1-trimethylsilylhept-5-en-1-yn-3-yl]oxy-dimethylsilane
CID 14918716
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane
CID 101348557
tert-butyl-dimethyl-[(E)-8-trimethylsilyloct-4-en-7-ynoxy]silane
CID 101521848
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
CID 101567387
tert-butyl-[(E)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 102341291

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane?
The IUPAC name of triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane (CID 134945499) is triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane.
What is the SMILES notation for triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane?
The canonical SMILES for triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane is C=CCC(/C=C(\CC#C[Si](CC)(CC)CC)[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane?
The InChIKey is SULROXQGSAWPAQ-IMVLJIQESA-N. The full InChI is InChI=1S/C27H54OSi3/c1-11-22-26(28-31(18-8,19-9)20-10)25-27(30(15-5,16-6)17-7)23-21-24-29(12-2,13-3)14-4/h11,25-26H,1,12-20,22-23H2,2-10H3/b27-25+.
What are the key properties of triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane?
triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane has a molecular weight of 478.99 g/mol, XLogP of 9.37, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-1-prop-2-enyl-3,6-bis(triethylsilyl)hex-2-en-5-ynoxy]silane is sourced from PubChem (CID 134945499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).