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

C27H50Si — CID 134941907

IUPACtri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane
SMILESCCC/C=C(CCC)/C(CCC)=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)CCC
InChIInChI=1S/C27H50Si/c1-11-15-19-25(16-12-2)27(18-14-4)26(17-13-3)20-21-28(22(5)6,23(7)8)24(9)10/h19,22-24H,11-18H2,1-10H3/b25-19+,27-26-
InChIKeyQYEKFWZABHTFEY-LZOXUMOWSA-N
MW402.78 g/mol
LogP9.63
Rot. Bonds12

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

tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane (PubChem CID 134941907) has the molecular formula C27H50Si and a molecular weight of 402.78 g/mol. Its IUPAC name is tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane
PubChem CID134941907
Molecular FormulaC27H50Si
Molecular Weight402.78 g/mol
Exact Mass402.37
IUPAC Nametri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane
SMILESCCC/C=C(CCC)/C(CCC)=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)CCC
InChIInChI=1S/C27H50Si/c1-11-15-19-25(16-12-2)27(18-14-4)26(17-13-3)20-21-28(22(5)6,23(7)8)24(9)10/h19,22-24H,11-18H2,1-10H3/b25-19+,27-26-
InChIKeyQYEKFWZABHTFEY-LZOXUMOWSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.78
LogP ≤ 59.63
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'}

Analyze tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane with MolForge

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Launch Full Analysis

Related Compounds

(1-Cyclohexen-1-ylethynyl)trimethylsilane
CID 11816203
2-(Cyclohexen-1-yl)ethynyl-triethyl-silane
CID 134948291
[(E)-3-butyl-2-methyl-5-methylidenenon-2-enyl]-triethylsilane
CID 101777994
2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
Triisopropyl(3-methylenenon-1-yn-1-yl)silane
CID 102088940
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
CID 11015863
(7Z)-7-butylheptadeca-7,9,10-trien-5-yne
CID 11077013
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
[(3E,5E,7E)-8-(cyclohexen-1-yl)-6-methylocta-3,5,7-trien-1-ynyl]-trimethylsilane
CID 11425713
[(E)-4-ethyloct-3-en-1-ynyl]-trimethylsilane
CID 12607737

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane?
The IUPAC name of tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane (CID 134941907) is tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane is CCC/C=C(CCC)/C(CCC)=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)CCC.
What is the InChIKey of tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane?
The InChIKey is QYEKFWZABHTFEY-LZOXUMOWSA-N. The full InChI is InChI=1S/C27H50Si/c1-11-15-19-25(16-12-2)27(18-14-4)26(17-13-3)20-21-28(22(5)6,23(7)8)24(9)10/h19,22-24H,11-18H2,1-10H3/b25-19+,27-26-.
What are the key properties of tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane?
tri(propan-2-yl)-[(3Z,5E)-3,4,5-tripropylnona-3,5-dien-1-ynyl]silane has a molecular weight of 402.78 g/mol, XLogP of 9.63, 12 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-tripropylnona-3,5-dien-1-ynyl]silane is sourced from PubChem (CID 134941907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).