docos-1-enyl-dimethoxy-methylsilane

C25H52O2Si — CID 139933464

IUPACdocos-1-enyl-dimethoxy-methylsilane
SMILESCCCCCCCCCCCCCCCCCCCCC=C[Si](C)(OC)OC
InChIInChI=1S/C25H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(4,26-2)27-3/h24-25H,5-23H2,1-4H3
InChIKeyWAMYLRVVQXCDLG-UHFFFAOYSA-N
MW412.78 g/mol
LogP8.88
Rot. Bonds22

About docos-1-enyl-dimethoxy-methylsilane

docos-1-enyl-dimethoxy-methylsilane (PubChem CID 139933464) has the molecular formula C25H52O2Si and a molecular weight of 412.78 g/mol. Its IUPAC name is docos-1-enyl-dimethoxy-methylsilane.

Molecular Properties

Compound Namedocos-1-enyl-dimethoxy-methylsilane
PubChem CID139933464
Molecular FormulaC25H52O2Si
Molecular Weight412.78 g/mol
Exact Mass412.37
IUPAC Namedocos-1-enyl-dimethoxy-methylsilane
SMILESCCCCCCCCCCCCCCCCCCCCC=C[Si](C)(OC)OC
InChIInChI=1S/C25H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(4,26-2)27-3/h24-25H,5-23H2,1-4H3
InChIKeyWAMYLRVVQXCDLG-UHFFFAOYSA-N
XLogP8.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 58.88
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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Frequently Asked Questions

What is the IUPAC name of docos-1-enyl-dimethoxy-methylsilane?
The IUPAC name of docos-1-enyl-dimethoxy-methylsilane (CID 139933464) is docos-1-enyl-dimethoxy-methylsilane.
What is the SMILES notation for docos-1-enyl-dimethoxy-methylsilane?
The canonical SMILES for docos-1-enyl-dimethoxy-methylsilane is CCCCCCCCCCCCCCCCCCCCC=C[Si](C)(OC)OC.
What is the InChIKey of docos-1-enyl-dimethoxy-methylsilane?
The InChIKey is WAMYLRVVQXCDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(4,26-2)27-3/h24-25H,5-23H2,1-4H3.
What are the key properties of docos-1-enyl-dimethoxy-methylsilane?
docos-1-enyl-dimethoxy-methylsilane has a molecular weight of 412.78 g/mol, XLogP of 8.88, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for docos-1-enyl-dimethoxy-methylsilane is sourced from PubChem (CID 139933464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).