[(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane

C17H28O2Si — CID 135079519

IUPAC[(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane
SMILESC#CCOC/C=C/CO[Si](/C=C/C=C)(C(C)C)C(C)C
InChIInChI=1S/C17H28O2Si/c1-7-9-15-20(16(3)4,17(5)6)19-14-11-10-13-18-12-8-2/h2,7,9-11,15-17H,1,12-14H2,3-6H3/b11-10+,15-9+
InChIKeyCWGBWMCSLBKQRO-VIVJINLESA-N
MW292.50 g/mol
LogP4.26
Rot. Bonds10

About [(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane

[(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane (PubChem CID 135079519) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is [(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane.

Molecular Properties

Compound Name[(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane
PubChem CID135079519
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name[(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane
SMILESC#CCOC/C=C/CO[Si](/C=C/C=C)(C(C)C)C(C)C
InChIInChI=1S/C17H28O2Si/c1-7-9-15-20(16(3)4,17(5)6)19-14-11-10-13-18-12-8-2/h2,7,9-11,15-17H,1,12-14H2,3-6H3/b11-10+,15-9+
InChIKeyCWGBWMCSLBKQRO-VIVJINLESA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane
CID 11346938
tri(propan-2-yl)-[(E)-5-prop-2-enoxypent-3-en-1-ynyl]silane
CID 16063131
Tri(propan-2-yl)-(4-prop-2-enoxybut-1-ynoxy)silane
CID 85815775
Tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane
CID 134894104
tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane
CID 135047954
trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane
CID 154722307
methoxy-[(E)-1-methoxybut-2-enyl]-dimethylsilane
CID 140349367
3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane
CID 140870670
Butyl-[[dimethyl(3-penta-2,4-dienoxypropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 140893053
3-But-2-enoxypropyl-dimethoxy-methylsilane
CID 141068326
tert-butyl-[(E)-4-but-3-ynoxybut-2-enoxy]-dimethylsilane
CID 144301379
Tert-butyl-(4-but-3-ynoxybut-2-enoxy)-dimethylsilane
CID 173570709

Frequently Asked Questions

What is the IUPAC name of [(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane?
The IUPAC name of [(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane (CID 135079519) is [(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane.
What is the SMILES notation for [(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane?
The canonical SMILES for [(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane is C#CCOC/C=C/CO[Si](/C=C/C=C)(C(C)C)C(C)C.
What is the InChIKey of [(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane?
The InChIKey is CWGBWMCSLBKQRO-VIVJINLESA-N. The full InChI is InChI=1S/C17H28O2Si/c1-7-9-15-20(16(3)4,17(5)6)19-14-11-10-13-18-12-8-2/h2,7,9-11,15-17H,1,12-14H2,3-6H3/b11-10+,15-9+.
What are the key properties of [(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane?
[(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane has a molecular weight of 292.50 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane is sourced from PubChem (CID 135079519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).