trimethoxy-[4-(2-methylpropyl)undecyl]silane

C18H40O3Si — CID 173194024

IUPACtrimethoxy-[4-(2-methylpropyl)undecyl]silane
SMILESCCCCCCCC(CCC[Si](OC)(OC)OC)CC(C)C
InChIInChI=1S/C18H40O3Si/c1-7-8-9-10-11-13-18(16-17(2)3)14-12-15-22(19-4,20-5)21-6/h17-18H,7-16H2,1-6H3
InChIKeyQZBPQIDPCPRFPA-UHFFFAOYSA-N
MW332.60 g/mol
LogP5.67
Rot. Bonds15

About trimethoxy-[4-(2-methylpropyl)undecyl]silane

trimethoxy-[4-(2-methylpropyl)undecyl]silane (PubChem CID 173194024) has the molecular formula C18H40O3Si and a molecular weight of 332.60 g/mol. Its IUPAC name is trimethoxy-[4-(2-methylpropyl)undecyl]silane.

Molecular Properties

Compound Nametrimethoxy-[4-(2-methylpropyl)undecyl]silane
PubChem CID173194024
Molecular FormulaC18H40O3Si
Molecular Weight332.60 g/mol
Exact Mass332.27
IUPAC Nametrimethoxy-[4-(2-methylpropyl)undecyl]silane
SMILESCCCCCCCC(CCC[Si](OC)(OC)OC)CC(C)C
InChIInChI=1S/C18H40O3Si/c1-7-8-9-10-11-13-18(16-17(2)3)14-12-15-22(19-4,20-5)21-6/h17-18H,7-16H2,1-6H3
InChIKeyQZBPQIDPCPRFPA-UHFFFAOYSA-N
XLogP5.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethoxy(4-methylicosyl)silane
CID 88743380
2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride
CID 173031291
4-chlorohenicosyl(trimethoxy)silane
CID 141333665
2-(2-methylpropyl)decan-1-amine
CID 63498111
2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine
CID 87229361
N,N-dimethyl-3-(3-trimethoxysilylpropyl)octadecan-1-amine;hydrochloride
CID 173004886
4-ethyl-2-methyldecane
CID 19893744
dodecyl(trimethoxy)silane;octane
CID 174570785
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[4-(2-methylpropyl)undecyl]silane?
The IUPAC name of trimethoxy-[4-(2-methylpropyl)undecyl]silane (CID 173194024) is trimethoxy-[4-(2-methylpropyl)undecyl]silane.
What is the SMILES notation for trimethoxy-[4-(2-methylpropyl)undecyl]silane?
The canonical SMILES for trimethoxy-[4-(2-methylpropyl)undecyl]silane is CCCCCCCC(CCC[Si](OC)(OC)OC)CC(C)C.
What is the InChIKey of trimethoxy-[4-(2-methylpropyl)undecyl]silane?
The InChIKey is QZBPQIDPCPRFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si/c1-7-8-9-10-11-13-18(16-17(2)3)14-12-15-22(19-4,20-5)21-6/h17-18H,7-16H2,1-6H3.
What are the key properties of trimethoxy-[4-(2-methylpropyl)undecyl]silane?
trimethoxy-[4-(2-methylpropyl)undecyl]silane has a molecular weight of 332.60 g/mol, XLogP of 5.67, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[4-(2-methylpropyl)undecyl]silane is sourced from PubChem (CID 173194024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).