tert-butyl-ethoxy-heptadecyl-methoxysilane

C24H52O2Si — CID 18990695

IUPACtert-butyl-ethoxy-heptadecyl-methoxysilane
SMILESCCCCCCCCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C
InChIInChI=1S/C24H52O2Si/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(25-6,26-8-2)24(3,4)5/h7-23H2,1-6H3
InChIKeyBQXGJWRMZAVDTB-UHFFFAOYSA-N
MW400.76 g/mol
LogP8.78
Rot. Bonds19

About tert-butyl-ethoxy-heptadecyl-methoxysilane

tert-butyl-ethoxy-heptadecyl-methoxysilane (PubChem CID 18990695) has the molecular formula C24H52O2Si and a molecular weight of 400.76 g/mol. Its IUPAC name is tert-butyl-ethoxy-heptadecyl-methoxysilane.

Molecular Properties

Compound Nametert-butyl-ethoxy-heptadecyl-methoxysilane
PubChem CID18990695
Molecular FormulaC24H52O2Si
Molecular Weight400.76 g/mol
Exact Mass400.37
IUPAC Nametert-butyl-ethoxy-heptadecyl-methoxysilane
SMILESCCCCCCCCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C
InChIInChI=1S/C24H52O2Si/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(25-6,26-8-2)24(3,4)5/h7-23H2,1-6H3
InChIKeyBQXGJWRMZAVDTB-UHFFFAOYSA-N
XLogP8.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.76
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl-ethoxy-heptyl-methoxysilane
CID 18990691
tert-butyl-dimethoxy-tridecylsilane
CID 18990666
dodecyl-diethoxy-methoxysilane
CID 141483107
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(henicosyl)silane
CID 141362894
dodecyl(triethoxy)silane;tridecane
CID 174970002
2,3-dimethylhexan-2-yl-dodecyl-diethoxysilane
CID 139767582
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771

Frequently Asked Questions

What is the IUPAC name of tert-butyl-ethoxy-heptadecyl-methoxysilane?
The IUPAC name of tert-butyl-ethoxy-heptadecyl-methoxysilane (CID 18990695) is tert-butyl-ethoxy-heptadecyl-methoxysilane.
What is the SMILES notation for tert-butyl-ethoxy-heptadecyl-methoxysilane?
The canonical SMILES for tert-butyl-ethoxy-heptadecyl-methoxysilane is CCCCCCCCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C.
What is the InChIKey of tert-butyl-ethoxy-heptadecyl-methoxysilane?
The InChIKey is BQXGJWRMZAVDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O2Si/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(25-6,26-8-2)24(3,4)5/h7-23H2,1-6H3.
What are the key properties of tert-butyl-ethoxy-heptadecyl-methoxysilane?
tert-butyl-ethoxy-heptadecyl-methoxysilane has a molecular weight of 400.76 g/mol, XLogP of 8.78, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-ethoxy-heptadecyl-methoxysilane is sourced from PubChem (CID 18990695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).