trihexyl(3-methylbut-2-enoxy)silane

C23H48OSi — CID 531314

IUPACtrihexyl(3-methylbut-2-enoxy)silane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)OCC=C(C)C
InChIInChI=1S/C23H48OSi/c1-6-9-12-15-20-25(21-16-13-10-7-2,22-17-14-11-8-3)24-19-18-23(4)5/h18H,6-17,19-22H2,1-5H3
InChIKeyOUCSYVUJQQYESJ-UHFFFAOYSA-N
MW368.72 g/mol
LogP8.66
Rot. Bonds18

About trihexyl(3-methylbut-2-enoxy)silane

trihexyl(3-methylbut-2-enoxy)silane (PubChem CID 531314) has the molecular formula C23H48OSi and a molecular weight of 368.72 g/mol. Its IUPAC name is trihexyl(3-methylbut-2-enoxy)silane.

Molecular Properties

Compound Nametrihexyl(3-methylbut-2-enoxy)silane
PubChem CID531314
Molecular FormulaC23H48OSi
Molecular Weight368.72 g/mol
Exact Mass368.35
IUPAC Nametrihexyl(3-methylbut-2-enoxy)silane
SMILESCCCCCC[Si](CCCCCC)(CCCCCC)OCC=C(C)C
InChIInChI=1S/C23H48OSi/c1-6-9-12-15-20-25(21-16-13-10-7-2,22-17-14-11-8-3)24-19-18-23(4)5/h18H,6-17,19-22H2,1-5H3
InChIKeyOUCSYVUJQQYESJ-UHFFFAOYSA-N
XLogP8.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.72
LogP ≤ 58.66
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Tert-butyldimethyl((3-methylbut-2-en-1-yl)oxy)silane
CID 11469722
1-Dimethylisopropylsilyloxy-3-methylbut-2-ene
CID 531285
Prenol, TMS derivative
CID 6421205
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
3-Methyl-1-triisobutylsilyloxybut-2-ene
CID 531259
3-Methyl-1-tripropylsilyloxybut-2-ene
CID 531303
1-Trihexylsilyloxypent-2-en-4-yne
CID 531315
1-Butyldimethylsilyloxy-3-methylbut-2-ene
CID 531325
3-Methyl-1-tributylsilyloxybut-2-ene
CID 531333
1-Dimethyldodecylsilyloxy-3-methylbut-2-ene
CID 531344
1-Cyclohexyldimethylsilyloxy-3-methylbut-2-ene
CID 531361

Frequently Asked Questions

What is the IUPAC name of trihexyl(3-methylbut-2-enoxy)silane?
The IUPAC name of trihexyl(3-methylbut-2-enoxy)silane (CID 531314) is trihexyl(3-methylbut-2-enoxy)silane.
What is the SMILES notation for trihexyl(3-methylbut-2-enoxy)silane?
The canonical SMILES for trihexyl(3-methylbut-2-enoxy)silane is CCCCCC[Si](CCCCCC)(CCCCCC)OCC=C(C)C.
What is the InChIKey of trihexyl(3-methylbut-2-enoxy)silane?
The InChIKey is OUCSYVUJQQYESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48OSi/c1-6-9-12-15-20-25(21-16-13-10-7-2,22-17-14-11-8-3)24-19-18-23(4)5/h18H,6-17,19-22H2,1-5H3.
What are the key properties of trihexyl(3-methylbut-2-enoxy)silane?
trihexyl(3-methylbut-2-enoxy)silane has a molecular weight of 368.72 g/mol, XLogP of 8.66, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(3-methylbut-2-enoxy)silane is sourced from PubChem (CID 531314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).