hexacosan-13-yl(methyl)silane

C27H58Si — CID 173227781

IUPAChexacosan-13-yl(methyl)silane
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCC)[SiH2]C
InChIInChI=1S/C27H58Si/c1-4-6-8-10-12-14-16-18-20-22-24-26-27(28-3)25-23-21-19-17-15-13-11-9-7-5-2/h27H,4-26,28H2,1-3H3
InChIKeyIYOCWGIKBSJGHY-UHFFFAOYSA-N
MW410.85 g/mol
LogP10.00
Rot. Bonds24

About hexacosan-13-yl(methyl)silane

hexacosan-13-yl(methyl)silane (PubChem CID 173227781) has the molecular formula C27H58Si and a molecular weight of 410.85 g/mol. Its IUPAC name is hexacosan-13-yl(methyl)silane.

Molecular Properties

Compound Namehexacosan-13-yl(methyl)silane
PubChem CID173227781
Molecular FormulaC27H58Si
Molecular Weight410.85 g/mol
Exact Mass410.43
IUPAC Namehexacosan-13-yl(methyl)silane
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCC)[SiH2]C
InChIInChI=1S/C27H58Si/c1-4-6-8-10-12-14-16-18-20-22-24-26-27(28-3)25-23-21-19-17-15-13-11-9-7-5-2/h27H,4-26,28H2,1-3H3
InChIKeyIYOCWGIKBSJGHY-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hexacosan-13-yl(methyl)silane 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

6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
11,14-dimethylhexacosane
CID 86148083
9-octyloctadecane
CID 54267850
8-pentylheptadecane
CID 90754347
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
9,10-dioctylhexacosane
CID 21470284
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504

Frequently Asked Questions

What is the IUPAC name of hexacosan-13-yl(methyl)silane?
The IUPAC name of hexacosan-13-yl(methyl)silane (CID 173227781) is hexacosan-13-yl(methyl)silane.
What is the SMILES notation for hexacosan-13-yl(methyl)silane?
The canonical SMILES for hexacosan-13-yl(methyl)silane is CCCCCCCCCCCCCC(CCCCCCCCCCCC)[SiH2]C.
What is the InChIKey of hexacosan-13-yl(methyl)silane?
The InChIKey is IYOCWGIKBSJGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58Si/c1-4-6-8-10-12-14-16-18-20-22-24-26-27(28-3)25-23-21-19-17-15-13-11-9-7-5-2/h27H,4-26,28H2,1-3H3.
What are the key properties of hexacosan-13-yl(methyl)silane?
hexacosan-13-yl(methyl)silane has a molecular weight of 410.85 g/mol, XLogP of 10.00, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosan-13-yl(methyl)silane is sourced from PubChem (CID 173227781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).