docos-21-enyl-dihydroxy-methoxysilane

C23H48O3Si — CID 123262992

IUPACdocos-21-enyl-dihydroxy-methoxysilane
SMILESC=CCCCCCCCCCCCCCCCCCCCC[Si](O)(O)OC
InChIInChI=1S/C23H48O3Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(24,25)26-2/h3,24-25H,1,4-23H2,2H3
InChIKeyMYOPNYZSGDEJSK-UHFFFAOYSA-N
MW400.72 g/mol
LogP7.15
Rot. Bonds22

About docos-21-enyl-dihydroxy-methoxysilane

docos-21-enyl-dihydroxy-methoxysilane (PubChem CID 123262992) has the molecular formula C23H48O3Si and a molecular weight of 400.72 g/mol. Its IUPAC name is docos-21-enyl-dihydroxy-methoxysilane.

Molecular Properties

Compound Namedocos-21-enyl-dihydroxy-methoxysilane
PubChem CID123262992
Molecular FormulaC23H48O3Si
Molecular Weight400.72 g/mol
Exact Mass400.34
IUPAC Namedocos-21-enyl-dihydroxy-methoxysilane
SMILESC=CCCCCCCCCCCCCCCCCCCCC[Si](O)(O)OC
InChIInChI=1S/C23H48O3Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(24,25)26-2/h3,24-25H,1,4-23H2,2H3
InChIKeyMYOPNYZSGDEJSK-UHFFFAOYSA-N
XLogP7.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.72
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

dimethoxy-methyl-octadec-17-enylsilane
CID 87930703
dichloro-methoxy-octadec-17-enylsilane
CID 18346316
trimethyl oct-7-enyl silicate
CID 154097389
ethoxy-hexadec-15-enyl-dimethoxysilane
CID 87214510
diethoxy-methoxy-oct-7-enylsilane
CID 87214506
bis(dodec-11-enyl)-dimethylsilane
CID 171781898
[bis(dodec-11-enyl)-methylsilyl]oxy-bis(dodec-11-enyl)-methylsilane
CID 177387156
methoxymethane;tridec-12-en-1-ol
CID 87674016
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
fluoro-dimethyl-tridec-12-enylsilane
CID 58758055
[diacetyloxy(oct-7-enyl)silyl] acetate
CID 145259170

Frequently Asked Questions

What is the IUPAC name of docos-21-enyl-dihydroxy-methoxysilane?
The IUPAC name of docos-21-enyl-dihydroxy-methoxysilane (CID 123262992) is docos-21-enyl-dihydroxy-methoxysilane.
What is the SMILES notation for docos-21-enyl-dihydroxy-methoxysilane?
The canonical SMILES for docos-21-enyl-dihydroxy-methoxysilane is C=CCCCCCCCCCCCCCCCCCCCC[Si](O)(O)OC.
What is the InChIKey of docos-21-enyl-dihydroxy-methoxysilane?
The InChIKey is MYOPNYZSGDEJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O3Si/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(24,25)26-2/h3,24-25H,1,4-23H2,2H3.
What are the key properties of docos-21-enyl-dihydroxy-methoxysilane?
docos-21-enyl-dihydroxy-methoxysilane has a molecular weight of 400.72 g/mol, XLogP of 7.15, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for docos-21-enyl-dihydroxy-methoxysilane is sourced from PubChem (CID 123262992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).