2-(2-methylicosan-3-yl)oxasilinane

C25H52OSi — CID 173237385

IUPAC2-(2-methylicosan-3-yl)oxasilinane
SMILESCCCCCCCCCCCCCCCCCC(C(C)C)[SiH]1CCCCO1
InChIInChI=1S/C25H52OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(24(2)3)27-23-20-19-22-26-27/h24-25,27H,4-23H2,1-3H3
InChIKeyMTJSCFBMJSBZBH-UHFFFAOYSA-N
MW396.78 g/mol
LogP8.81
Rot. Bonds18

About 2-(2-methylicosan-3-yl)oxasilinane

2-(2-methylicosan-3-yl)oxasilinane (PubChem CID 173237385) has the molecular formula C25H52OSi and a molecular weight of 396.78 g/mol. Its IUPAC name is 2-(2-methylicosan-3-yl)oxasilinane.

Molecular Properties

Compound Name2-(2-methylicosan-3-yl)oxasilinane
PubChem CID173237385
Molecular FormulaC25H52OSi
Molecular Weight396.78 g/mol
Exact Mass396.38
IUPAC Name2-(2-methylicosan-3-yl)oxasilinane
SMILESCCCCCCCCCCCCCCCCCC(C(C)C)[SiH]1CCCCO1
InChIInChI=1S/C25H52OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(24(2)3)27-23-20-19-22-26-27/h24-25,27H,4-23H2,1-3H3
InChIKeyMTJSCFBMJSBZBH-UHFFFAOYSA-N
XLogP8.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.78
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(2-methylicosan-3-yl)oxasilinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(s)-2-Methyl-1-(t-butyldimethylsilyloxy)-dodecane
CID 129866526
Triethyl(9-methyldecoxy)silane
CID 134895577
Tert-butyl-dimethyl-(8-methylnonoxy)silane
CID 134979406
2-methyl-1-eicosanol, tBDMS
CID 6430231
2-methyl-1-heptadecanol, tBDMS
CID 6430232
2-methyl-1-hexadecanol, tBDMS
CID 6430233
2-methyl-1-nonadecanol, tBDMS
CID 6430234
2-methyl-1-octadecanol, tBDMS
CID 6430235
2-methyl-1-tetradecanol, tBDMS
CID 6430236
1-Ethyl-1-(6-ethyl-3-octyloxy)-1-silacyclohexane
CID 575630
4-Methyl-1-dimethyl(octyl)silyloxypentane
CID 594306
1-Methyl-1-(6-ethyl-3-octyloxy)-1-silacyclohexane
CID 598719

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylicosan-3-yl)oxasilinane?
The IUPAC name of 2-(2-methylicosan-3-yl)oxasilinane (CID 173237385) is 2-(2-methylicosan-3-yl)oxasilinane.
What is the SMILES notation for 2-(2-methylicosan-3-yl)oxasilinane?
The canonical SMILES for 2-(2-methylicosan-3-yl)oxasilinane is CCCCCCCCCCCCCCCCCC(C(C)C)[SiH]1CCCCO1.
What is the InChIKey of 2-(2-methylicosan-3-yl)oxasilinane?
The InChIKey is MTJSCFBMJSBZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25(24(2)3)27-23-20-19-22-26-27/h24-25,27H,4-23H2,1-3H3.
What are the key properties of 2-(2-methylicosan-3-yl)oxasilinane?
2-(2-methylicosan-3-yl)oxasilinane has a molecular weight of 396.78 g/mol, XLogP of 8.81, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylicosan-3-yl)oxasilinane is sourced from PubChem (CID 173237385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).