hexadecyl-dimethoxy-propan-2-yloxysilane

C21H46O3Si — CID 154147118

IUPAChexadecyl-dimethoxy-propan-2-yloxysilane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OC)OC(C)C
InChIInChI=1S/C21H46O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(22-4,23-5)24-21(2)3/h21H,6-20H2,1-5H3
InChIKeyZBGKWOYGVAJZQP-UHFFFAOYSA-N
MW374.68 g/mol
LogP7.12
Rot. Bonds19

About hexadecyl-dimethoxy-propan-2-yloxysilane

hexadecyl-dimethoxy-propan-2-yloxysilane (PubChem CID 154147118) has the molecular formula C21H46O3Si and a molecular weight of 374.68 g/mol. Its IUPAC name is hexadecyl-dimethoxy-propan-2-yloxysilane.

Molecular Properties

Compound Namehexadecyl-dimethoxy-propan-2-yloxysilane
PubChem CID154147118
Molecular FormulaC21H46O3Si
Molecular Weight374.68 g/mol
Exact Mass374.32
IUPAC Namehexadecyl-dimethoxy-propan-2-yloxysilane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OC)OC(C)C
InChIInChI=1S/C21H46O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(22-4,23-5)24-21(2)3/h21H,6-20H2,1-5H3
InChIKeyZBGKWOYGVAJZQP-UHFFFAOYSA-N
XLogP7.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.68
LogP ≤ 57.12
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

hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
azane;trimethoxy(pentyl)silane
CID 19608931
methanethioic S-acid;octyl-tri(propan-2-yloxy)silane
CID 175341627
tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylbutyl]silane
CID 87144652
[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
CID 168727663
decyl(trimethoxy)silane;trimethoxysilane
CID 158226172

Frequently Asked Questions

What is the IUPAC name of hexadecyl-dimethoxy-propan-2-yloxysilane?
The IUPAC name of hexadecyl-dimethoxy-propan-2-yloxysilane (CID 154147118) is hexadecyl-dimethoxy-propan-2-yloxysilane.
What is the SMILES notation for hexadecyl-dimethoxy-propan-2-yloxysilane?
The canonical SMILES for hexadecyl-dimethoxy-propan-2-yloxysilane is CCCCCCCCCCCCCCCC[Si](OC)(OC)OC(C)C.
What is the InChIKey of hexadecyl-dimethoxy-propan-2-yloxysilane?
The InChIKey is ZBGKWOYGVAJZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(22-4,23-5)24-21(2)3/h21H,6-20H2,1-5H3.
What are the key properties of hexadecyl-dimethoxy-propan-2-yloxysilane?
hexadecyl-dimethoxy-propan-2-yloxysilane has a molecular weight of 374.68 g/mol, XLogP of 7.12, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl-dimethoxy-propan-2-yloxysilane is sourced from PubChem (CID 154147118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).