17-hexadecyltetratriacontan-17-yloxysilane

C50H104OSi — CID 173060502

IUPAC17-hexadecyltetratriacontan-17-yloxysilane
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)O[SiH3]
InChIInChI=1S/C50H104OSi/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-50(51-52,47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-49H2,1-3,52H3
InChIKeyLGOQDJUTMDTCIU-UHFFFAOYSA-N
MW749.47 g/mol
LogP18.03
Rot. Bonds47

About 17-hexadecyltetratriacontan-17-yloxysilane

17-hexadecyltetratriacontan-17-yloxysilane (PubChem CID 173060502) has the molecular formula C50H104OSi and a molecular weight of 749.47 g/mol. Its IUPAC name is 17-hexadecyltetratriacontan-17-yloxysilane.

Molecular Properties

Compound Name17-hexadecyltetratriacontan-17-yloxysilane
PubChem CID173060502
Molecular FormulaC50H104OSi
Molecular Weight749.47 g/mol
Exact Mass748.79
IUPAC Name17-hexadecyltetratriacontan-17-yloxysilane
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)O[SiH3]
InChIInChI=1S/C50H104OSi/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-50(51-52,47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-49H2,1-3,52H3
InChIKeyLGOQDJUTMDTCIU-UHFFFAOYSA-N
XLogP18.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds47
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.47
LogP ≤ 518.03
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 173060340
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CID 173002328
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
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 17-hexadecyltetratriacontan-17-yloxysilane?
The IUPAC name of 17-hexadecyltetratriacontan-17-yloxysilane (CID 173060502) is 17-hexadecyltetratriacontan-17-yloxysilane.
What is the SMILES notation for 17-hexadecyltetratriacontan-17-yloxysilane?
The canonical SMILES for 17-hexadecyltetratriacontan-17-yloxysilane is CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)O[SiH3].
What is the InChIKey of 17-hexadecyltetratriacontan-17-yloxysilane?
The InChIKey is LGOQDJUTMDTCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H104OSi/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-50(51-52,47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-49H2,1-3,52H3.
What are the key properties of 17-hexadecyltetratriacontan-17-yloxysilane?
17-hexadecyltetratriacontan-17-yloxysilane has a molecular weight of 749.47 g/mol, XLogP of 18.03, 47 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hexadecyltetratriacontan-17-yloxysilane is sourced from PubChem (CID 173060502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).