tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane

C23H42Si — CID 102296161

IUPACtri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane
SMILESCC/C=C(CC)/C(CC)=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)CC
InChIInChI=1S/C23H42Si/c1-11-15-21(12-2)23(14-4)22(13-3)16-17-24(18(5)6,19(7)8)20(9)10/h15,18-20H,11-14H2,1-10H3/b21-15+,23-22-
InChIKeyLFUXRLPHHJRIAB-BQNDYICTSA-N
MW346.68 g/mol
LogP8.07
Rot. Bonds8

About tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane

tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane (PubChem CID 102296161) has the molecular formula C23H42Si and a molecular weight of 346.68 g/mol. Its IUPAC name is tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane
PubChem CID102296161
Molecular FormulaC23H42Si
Molecular Weight346.68 g/mol
Exact Mass346.31
IUPAC Nametri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane
SMILESCC/C=C(CC)/C(CC)=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)CC
InChIInChI=1S/C23H42Si/c1-11-15-21(12-2)23(14-4)22(13-3)16-17-24(18(5)6,19(7)8)20(9)10/h15,18-20H,11-14H2,1-10H3/b21-15+,23-22-
InChIKeyLFUXRLPHHJRIAB-BQNDYICTSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.68
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-Cyclohexen-1-ylethynyl)trimethylsilane
CID 11816203
1-[2-(Trimethylsilyl)ethynyl]cyclopentene
CID 12778987
2-(Cyclohexen-1-yl)ethynyl-triethyl-silane
CID 134948291
[(4E)-5,9-dimethyldeca-4,8-dien-1-ynyl]-trimethylsilane
CID 10354026
2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
Trimethyl-(7-methyl-3-methylideneoct-6-en-1-ynyl)silane
CID 10878326
trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
CID 11015863
trimethyl-[(2E)-5-pentyldeca-2,4-dienyl]silane
CID 11196759
trimethyl-[(5E,9E,13E,17E,21E,25E,29E,33E)-6,10,14,18,22,26,30,34,38-nonamethylnonatriaconta-5,9,13,17,21,25,29,33,37-nonaen-1-ynyl]silane
CID 11216306
[(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane
CID 11385539
[(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane
CID 11425713

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane?
The IUPAC name of tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane (CID 102296161) is tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane is CC/C=C(CC)/C(CC)=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)CC.
What is the InChIKey of tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane?
The InChIKey is LFUXRLPHHJRIAB-BQNDYICTSA-N. The full InChI is InChI=1S/C23H42Si/c1-11-15-21(12-2)23(14-4)22(13-3)16-17-24(18(5)6,19(7)8)20(9)10/h15,18-20H,11-14H2,1-10H3/b21-15+,23-22-.
What are the key properties of tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane?
tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane has a molecular weight of 346.68 g/mol, XLogP of 8.07, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-ynyl]silane is sourced from PubChem (CID 102296161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).