trihexyl(pent-2-en-4-ynoxy)silane

C23H44OSi — CID 531315

IUPACtrihexyl(pent-2-en-4-ynoxy)silane
SMILESC#CC=CCO[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C23H44OSi/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h4,12,16H,5-7,9-11,13-15,17-23H2,1-3H3
InChIKeyBUZZRUDDTJXGEC-UHFFFAOYSA-N
MW364.69 g/mol
LogP7.88
Rot. Bonds18

About trihexyl(pent-2-en-4-ynoxy)silane

trihexyl(pent-2-en-4-ynoxy)silane (PubChem CID 531315) has the molecular formula C23H44OSi and a molecular weight of 364.69 g/mol. Its IUPAC name is trihexyl(pent-2-en-4-ynoxy)silane.

Molecular Properties

Compound Nametrihexyl(pent-2-en-4-ynoxy)silane
PubChem CID531315
Molecular FormulaC23H44OSi
Molecular Weight364.69 g/mol
Exact Mass364.32
IUPAC Nametrihexyl(pent-2-en-4-ynoxy)silane
SMILESC#CC=CCO[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C23H44OSi/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h4,12,16H,5-7,9-11,13-15,17-23H2,1-3H3
InChIKeyBUZZRUDDTJXGEC-UHFFFAOYSA-N
XLogP7.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.69
LogP ≤ 57.88
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

tert-butyl(dimethyl)[(2E)-2-penten-4-ynyloxy]silane
CID 10845580
1-Triisobutylsilyloxypent-2-en-4-yne
CID 531260
1-Dimethylisopropylsilyloxypent-2-en-4-yne
CID 531286
1-Tripropylsilyloxypent-2-en-4-yne
CID 531304
3-Methyl-1-trihexylsilyloxybut-2-ene
CID 531314
1-Tributylsilyloxypent-2-en-4-yne
CID 531334
1-Dimethyldodecylsilyloxypent-2-en-4-yne
CID 531345
[(Z)-2-iododec-2-en-4-ynoxy]-tri(propan-2-yl)silane
CID 12003924
tert-butyl-dimethyl-[(Z)-non-2-en-4-ynoxy]silane
CID 134889577
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715
1-Diisopropylsilyloxypent-2-en-4-yne
CID 6327729
tert-Butyl(dimethyl)[(pent-2-en-4-yn-1-yl)oxy]silane
CID 71339445

Frequently Asked Questions

What is the IUPAC name of trihexyl(pent-2-en-4-ynoxy)silane?
The IUPAC name of trihexyl(pent-2-en-4-ynoxy)silane (CID 531315) is trihexyl(pent-2-en-4-ynoxy)silane.
What is the SMILES notation for trihexyl(pent-2-en-4-ynoxy)silane?
The canonical SMILES for trihexyl(pent-2-en-4-ynoxy)silane is C#CC=CCO[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of trihexyl(pent-2-en-4-ynoxy)silane?
The InChIKey is BUZZRUDDTJXGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44OSi/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4/h4,12,16H,5-7,9-11,13-15,17-23H2,1-3H3.
What are the key properties of trihexyl(pent-2-en-4-ynoxy)silane?
trihexyl(pent-2-en-4-ynoxy)silane has a molecular weight of 364.69 g/mol, XLogP of 7.88, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(pent-2-en-4-ynoxy)silane is sourced from PubChem (CID 531315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).