trihexyl(hex-4-yn-3-yloxy)silane

C24H48OSi — CID 531316

IUPACtrihexyl(hex-4-yn-3-yloxy)silane
SMILESCC#CC(CC)O[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C24H48OSi/c1-6-11-14-17-21-26(22-18-15-12-7-2,23-19-16-13-8-3)25-24(10-5)20-9-4/h24H,6-8,10-19,21-23H2,1-5H3
InChIKeyIEKIWNCVNSZYBF-UHFFFAOYSA-N
MW380.73 g/mol
LogP8.49
Rot. Bonds18

About trihexyl(hex-4-yn-3-yloxy)silane

trihexyl(hex-4-yn-3-yloxy)silane (PubChem CID 531316) has the molecular formula C24H48OSi and a molecular weight of 380.73 g/mol. Its IUPAC name is trihexyl(hex-4-yn-3-yloxy)silane.

Molecular Properties

Compound Nametrihexyl(hex-4-yn-3-yloxy)silane
PubChem CID531316
Molecular FormulaC24H48OSi
Molecular Weight380.73 g/mol
Exact Mass380.35
IUPAC Nametrihexyl(hex-4-yn-3-yloxy)silane
SMILESCC#CC(CC)O[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C24H48OSi/c1-6-11-14-17-21-26(22-18-15-12-7-2,23-19-16-13-8-3)25-24(10-5)20-9-4/h24H,6-8,10-19,21-23H2,1-5H3
InChIKeyIEKIWNCVNSZYBF-UHFFFAOYSA-N
XLogP8.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.73
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

triheptyl(propan-2-yloxy)silane
CID 178181529
trihexyl-[(E)-oct-3-en-2-yl]oxysilane
CID 5353195
diethyl-hexyl-methoxysilane
CID 59112330
trihexadecyl(propoxy)silane
CID 172579393
dimethoxy-nonyl-tridecylsilane
CID 139614257
hexyl-dimethoxy-nonadecylsilane
CID 139614220
dimethoxy-octyl-pentylsilane
CID 139614094
dimethoxy-pentadecyl-undecylsilane
CID 139614261
dimethoxy-nonadecyl-nonylsilane
CID 139614040
hexyl-dimethoxy-undecylsilane
CID 139614316
dimethoxy-nonadecyl-pentadecylsilane
CID 139614324
heptyl-dimethoxy-undecylsilane
CID 139614038

Frequently Asked Questions

What is the IUPAC name of trihexyl(hex-4-yn-3-yloxy)silane?
The IUPAC name of trihexyl(hex-4-yn-3-yloxy)silane (CID 531316) is trihexyl(hex-4-yn-3-yloxy)silane.
What is the SMILES notation for trihexyl(hex-4-yn-3-yloxy)silane?
The canonical SMILES for trihexyl(hex-4-yn-3-yloxy)silane is CC#CC(CC)O[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of trihexyl(hex-4-yn-3-yloxy)silane?
The InChIKey is IEKIWNCVNSZYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48OSi/c1-6-11-14-17-21-26(22-18-15-12-7-2,23-19-16-13-8-3)25-24(10-5)20-9-4/h24H,6-8,10-19,21-23H2,1-5H3.
What are the key properties of trihexyl(hex-4-yn-3-yloxy)silane?
trihexyl(hex-4-yn-3-yloxy)silane has a molecular weight of 380.73 g/mol, XLogP of 8.49, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(hex-4-yn-3-yloxy)silane is sourced from PubChem (CID 531316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).