14-tridecyloctacosan-14-yloxysilane

C41H86OSi — CID 173060340

IUPAC14-tridecyloctacosan-14-yloxysilane
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)(CCCCCCCCCCCCC)O[SiH3]
InChIInChI=1S/C41H86OSi/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-41(42-43,38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-40H2,1-3,43H3
InChIKeyUPHHTWHBOFVYDB-UHFFFAOYSA-N
MW623.22 g/mol
LogP14.52
Rot. Bonds38

About 14-tridecyloctacosan-14-yloxysilane

14-tridecyloctacosan-14-yloxysilane (PubChem CID 173060340) has the molecular formula C41H86OSi and a molecular weight of 623.22 g/mol. Its IUPAC name is 14-tridecyloctacosan-14-yloxysilane.

Molecular Properties

Compound Name14-tridecyloctacosan-14-yloxysilane
PubChem CID173060340
Molecular FormulaC41H86OSi
Molecular Weight623.22 g/mol
Exact Mass622.64
IUPAC Name14-tridecyloctacosan-14-yloxysilane
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)(CCCCCCCCCCCCC)O[SiH3]
InChIInChI=1S/C41H86OSi/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-41(42-43,38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-40H2,1-3,43H3
InChIKeyUPHHTWHBOFVYDB-UHFFFAOYSA-N
XLogP14.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.22
LogP ≤ 514.52
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'}

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Related Compounds

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CID 173060502
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CID 155668142
S-(4-butyl-4-silyloxyoctyl) octanethioate
CID 175576021
3-ethyl-3-methoxydecane
CID 89190150
10-decoxy-10-nonylnonadecane
CID 150430521
10-methoxy-10-propylicosane
CID 158279749
10-methoxy-10-propyltricosane
CID 159618690
2,2,3-trimethyldecan-3-yloxysilane
CID 173402101
3-ethyl-3-hydroperoxytridecane
CID 140733477
decane;ruthenium
CID 160818595

Frequently Asked Questions

What is the IUPAC name of 14-tridecyloctacosan-14-yloxysilane?
The IUPAC name of 14-tridecyloctacosan-14-yloxysilane (CID 173060340) is 14-tridecyloctacosan-14-yloxysilane.
What is the SMILES notation for 14-tridecyloctacosan-14-yloxysilane?
The canonical SMILES for 14-tridecyloctacosan-14-yloxysilane is CCCCCCCCCCCCCCC(CCCCCCCCCCCCC)(CCCCCCCCCCCCC)O[SiH3].
What is the InChIKey of 14-tridecyloctacosan-14-yloxysilane?
The InChIKey is UPHHTWHBOFVYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H86OSi/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-41(42-43,38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-40H2,1-3,43H3.
What are the key properties of 14-tridecyloctacosan-14-yloxysilane?
14-tridecyloctacosan-14-yloxysilane has a molecular weight of 623.22 g/mol, XLogP of 14.52, 38 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-tridecyloctacosan-14-yloxysilane is sourced from PubChem (CID 173060340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).