trioctyl(pent-1-ynyl)silane

C29H58Si — CID 154124508

IUPACtrioctyl(pent-1-ynyl)silane
SMILESCCCC#C[Si](CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C29H58Si/c1-5-9-13-16-19-23-27-30(26-22-12-8-4,28-24-20-17-14-10-6-2)29-25-21-18-15-11-7-3/h5-21,23-25,27-29H2,1-4H3
InChIKeyIXRJAUPGXYZRIA-UHFFFAOYSA-N
MW434.87 g/mol
LogP10.86
Rot. Bonds22

About trioctyl(pent-1-ynyl)silane

trioctyl(pent-1-ynyl)silane (PubChem CID 154124508) has the molecular formula C29H58Si and a molecular weight of 434.87 g/mol. Its IUPAC name is trioctyl(pent-1-ynyl)silane.

Molecular Properties

Compound Nametrioctyl(pent-1-ynyl)silane
PubChem CID154124508
Molecular FormulaC29H58Si
Molecular Weight434.87 g/mol
Exact Mass434.43
IUPAC Nametrioctyl(pent-1-ynyl)silane
SMILESCCCC#C[Si](CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C29H58Si/c1-5-9-13-16-19-23-27-30(26-22-12-8-4,28-24-20-17-14-10-6-2)29-25-21-18-15-11-7-3/h5-21,23-25,27-29H2,1-4H3
InChIKeyIXRJAUPGXYZRIA-UHFFFAOYSA-N
XLogP10.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.87
LogP ≤ 510.86
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
fluoro-dimethyl-oct-1-ynylsilane
CID 71369310
heptadeca-4,7,10-triyne
CID 171715223
diethynyl-di(tridecyl)silane
CID 139653435
henicos-8-yne
CID 22224321
hexadec-1-ynyl(trimethoxy)silane
CID 86239021
butyl-[2-(butyl-chloro-decylsilyl)ethynyl]-chloro-decylsilane
CID 139634038
butyl-dihexyl-octylsilane
CID 168803297
tetradeca-4,9-diyne
CID 173328648
decyl-hexadecyl-methyl-octylsilane
CID 14474508
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of trioctyl(pent-1-ynyl)silane?
The IUPAC name of trioctyl(pent-1-ynyl)silane (CID 154124508) is trioctyl(pent-1-ynyl)silane.
What is the SMILES notation for trioctyl(pent-1-ynyl)silane?
The canonical SMILES for trioctyl(pent-1-ynyl)silane is CCCC#C[Si](CCCCCCCC)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of trioctyl(pent-1-ynyl)silane?
The InChIKey is IXRJAUPGXYZRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58Si/c1-5-9-13-16-19-23-27-30(26-22-12-8-4,28-24-20-17-14-10-6-2)29-25-21-18-15-11-7-3/h5-21,23-25,27-29H2,1-4H3.
What are the key properties of trioctyl(pent-1-ynyl)silane?
trioctyl(pent-1-ynyl)silane has a molecular weight of 434.87 g/mol, XLogP of 10.86, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trioctyl(pent-1-ynyl)silane is sourced from PubChem (CID 154124508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).