trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane

C23H52O6Si2 — CID 141102210

IUPACtrimethoxy(9-trimethoxysilylheptadecan-9-yl)silane
SMILESCCCCCCCCC(CCCCCCCC)([Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C23H52O6Si2/c1-9-11-13-15-17-19-21-23(30(24-3,25-4)26-5,31(27-6,28-7)29-8)22-20-18-16-14-12-10-2/h9-22H2,1-8H3
InChIKeyHBIIMCZBGHVVHA-UHFFFAOYSA-N
MW480.84 g/mol
LogP6.52
Rot. Bonds22

About trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane

trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane (PubChem CID 141102210) has the molecular formula C23H52O6Si2 and a molecular weight of 480.84 g/mol. Its IUPAC name is trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane.

Molecular Properties

Compound Nametrimethoxy(9-trimethoxysilylheptadecan-9-yl)silane
PubChem CID141102210
Molecular FormulaC23H52O6Si2
Molecular Weight480.84 g/mol
Exact Mass480.33
IUPAC Nametrimethoxy(9-trimethoxysilylheptadecan-9-yl)silane
SMILESCCCCCCCCC(CCCCCCCC)([Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C23H52O6Si2/c1-9-11-13-15-17-19-21-23(30(24-3,25-4)26-5,31(27-6,28-7)29-8)22-20-18-16-14-12-10-2/h9-22H2,1-8H3
InChIKeyHBIIMCZBGHVVHA-UHFFFAOYSA-N
XLogP6.52
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.84
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-trimethoxysilylhenicosan-4-amine;hydrochloride
CID 174053760
9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one
CID 87595580
1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane
CID 156901116
3-decyl-N-methyl-3-trimethoxysilyltridecan-1-amine;hydrochloride
CID 173229725
11-methoxy-11-nonyltetracosane
CID 159441841
1,1,1-trimethoxytridecane
CID 102481821
4,4-dimethylnonadecyl(trimethoxy)silane
CID 141086042
methoxymethane;undecane
CID 174775722
tetracosane-6,6-diamine
CID 154005419
heptane;trihydroxy(methoxy)silane
CID 174556151
decane;ruthenium
CID 160818595
triethoxy(2-methylnonan-2-yl)silane
CID 18999451

Frequently Asked Questions

What is the IUPAC name of trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane?
The IUPAC name of trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane (CID 141102210) is trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane.
What is the SMILES notation for trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane?
The canonical SMILES for trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane is CCCCCCCCC(CCCCCCCC)([Si](OC)(OC)OC)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane?
The InChIKey is HBIIMCZBGHVVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52O6Si2/c1-9-11-13-15-17-19-21-23(30(24-3,25-4)26-5,31(27-6,28-7)29-8)22-20-18-16-14-12-10-2/h9-22H2,1-8H3.
What are the key properties of trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane?
trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane has a molecular weight of 480.84 g/mol, XLogP of 6.52, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane is sourced from PubChem (CID 141102210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).