trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane

C31H52Si — CID 11015863

IUPACtrimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C31H52Si/c1-27(2)17-13-19-29(4)21-15-23-31(6)25-16-24-30(5)22-14-20-28(3)18-11-10-12-26-32(7,8)9/h17-18,21-22,25H,10-11,13-16,19-20,23-24H2,1-9H3/b28-18+,29-21+,30-22+,31-25+
InChIKeyRARKZGICDZBZEN-HUZMQAKGSA-N
MW452.84 g/mol
LogP10.52
Rot. Bonds14

About trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane

trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane (PubChem CID 11015863) has the molecular formula C31H52Si and a molecular weight of 452.84 g/mol. Its IUPAC name is trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
PubChem CID11015863
Molecular FormulaC31H52Si
Molecular Weight452.84 g/mol
Exact Mass452.38
IUPAC Nametrimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C31H52Si/c1-27(2)17-13-19-29(4)21-15-23-31(6)25-16-24-30(5)22-14-20-28(3)18-11-10-12-26-32(7,8)9/h17-18,21-22,25H,10-11,13-16,19-20,23-24H2,1-9H3/b28-18+,29-21+,30-22+,31-25+
InChIKeyRARKZGICDZBZEN-HUZMQAKGSA-N
XLogP10.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.84
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': '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
((2E)-3,7-Dimethyl-2,6-octadien-1-yl)trimethylsilane
CID 10954825
2-(Cyclohexen-1-yl)ethynyl-tri(propan-2-yl)silane
CID 101856172
trimethyl-[(E)-4-methylhex-3-en-1-ynyl]silane
CID 134901516
[(5E)-6,10-dimethylundeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12489209
Silane, trimethyl(6-methyl-5-hepten-1-ynyl)-
CID 550064
3,8-Bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene
CID 15049571
Trimethyl-(7-methyl-3-methylideneoct-6-en-1-ynyl)silane
CID 10878326
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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane?
The IUPAC name of trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane (CID 11015863) is trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane?
The canonical SMILES for trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane?
The InChIKey is RARKZGICDZBZEN-HUZMQAKGSA-N. The full InChI is InChI=1S/C31H52Si/c1-27(2)17-13-19-29(4)21-15-23-31(6)25-16-24-30(5)22-14-20-28(3)18-11-10-12-26-32(7,8)9/h17-18,21-22,25H,10-11,13-16,19-20,23-24H2,1-9H3/b28-18+,29-21+,30-22+,31-25+.
What are the key properties of trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane?
trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane has a molecular weight of 452.84 g/mol, XLogP of 10.52, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane is sourced from PubChem (CID 11015863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).