triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane

C23H44OSi2 — CID 135066672

IUPACtriethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane
SMILESC=CC/C(=C\C(C#CCCC)O[Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C23H44OSi2/c1-9-17-18-20-22(24-26(14-6,15-7)16-8)21-23(19-10-2)25(11-3,12-4)13-5/h10,21-22H,2,9,11-17,19H2,1,3-8H3/b23-21+
InChIKeyCVJGFXMDPDCROM-XTQSDGFTSA-N
MW392.78 g/mol
LogP7.73
Rot. Bonds13

About triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane

triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane (PubChem CID 135066672) has the molecular formula C23H44OSi2 and a molecular weight of 392.78 g/mol. Its IUPAC name is triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane.

Molecular Properties

Compound Nametriethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane
PubChem CID135066672
Molecular FormulaC23H44OSi2
Molecular Weight392.78 g/mol
Exact Mass392.29
IUPAC Nametriethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane
SMILESC=CC/C(=C\C(C#CCCC)O[Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C23H44OSi2/c1-9-17-18-20-22(24-26(14-6,15-7)16-8)21-23(19-10-2)25(11-3,12-4)13-5/h10,21-22H,2,9,11-17,19H2,1,3-8H3/b23-21+
InChIKeyCVJGFXMDPDCROM-XTQSDGFTSA-N
XLogP7.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.78
LogP ≤ 57.73
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
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Tributylsilyloxyoct-3-ene
CID 5353200
[(1S)-cyclohex-2-en-1-yl]oxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 11393435
tert-butyl-dimethyl-[(Z)-3-tributylstannyl-5-trimethylsilylpent-3-en-2-yl]oxysilane
CID 14006078
triethyl-[(E)-3-methyldodec-2-en-5-yn-4-yl]oxysilane
CID 46895233
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
tert-butyl-dimethyl-[(3S)-5-tri(propan-2-yl)silylpent-1-en-4-yn-3-yl]oxysilane
CID 72197942
[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane
CID 101348557
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
tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane
CID 122386867

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane?
The IUPAC name of triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane (CID 135066672) is triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane.
What is the SMILES notation for triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane?
The canonical SMILES for triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane is C=CC/C(=C\C(C#CCCC)O[Si](CC)(CC)CC)[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane?
The InChIKey is CVJGFXMDPDCROM-XTQSDGFTSA-N. The full InChI is InChI=1S/C23H44OSi2/c1-9-17-18-20-22(24-26(14-6,15-7)16-8)21-23(19-10-2)25(11-3,12-4)13-5/h10,21-22H,2,9,11-17,19H2,1,3-8H3/b23-21+.
What are the key properties of triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane?
triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane has a molecular weight of 392.78 g/mol, XLogP of 7.73, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E)-1-pent-1-ynyl-3-triethylsilylhexa-2,5-dienoxy]silane is sourced from PubChem (CID 135066672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).