37-triethoxysilylheptatriacontan-1-ol

C43H90O4Si — CID 87684596

IUPAC37-triethoxysilylheptatriacontan-1-ol
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)(OCC)OCC
InChIInChI=1S/C43H90O4Si/c1-4-45-48(46-5-2,47-6-3)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44/h44H,4-43H2,1-3H3
InChIKeyIUPIICLBJQNESE-UHFFFAOYSA-N
MW699.27 g/mol
LogP14.68
Rot. Bonds43

About 37-triethoxysilylheptatriacontan-1-ol

37-triethoxysilylheptatriacontan-1-ol (PubChem CID 87684596) has the molecular formula C43H90O4Si and a molecular weight of 699.27 g/mol. Its IUPAC name is 37-triethoxysilylheptatriacontan-1-ol.

Molecular Properties

Compound Name37-triethoxysilylheptatriacontan-1-ol
PubChem CID87684596
Molecular FormulaC43H90O4Si
Molecular Weight699.27 g/mol
Exact Mass698.66
IUPAC Name37-triethoxysilylheptatriacontan-1-ol
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)(OCC)OCC
InChIInChI=1S/C43H90O4Si/c1-4-45-48(46-5-2,47-6-3)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44/h44H,4-43H2,1-3H3
InChIKeyIUPIICLBJQNESE-UHFFFAOYSA-N
XLogP14.68
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds43
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.27
LogP ≤ 514.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
bis(4-hydroxybutyl)-methyl-(3-triethoxysilylpropyl)azanium
CID 153332881
4-tripropoxysilylbutan-1-ol
CID 18780457
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
silane;triethoxy(tetradecyl)silane
CID 161365398
6-trimethoxysilylhexan-1-ol
CID 22497813
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
16-trimethoxysilylhexadecan-1-ol
CID 87683754

Frequently Asked Questions

What is the IUPAC name of 37-triethoxysilylheptatriacontan-1-ol?
The IUPAC name of 37-triethoxysilylheptatriacontan-1-ol (CID 87684596) is 37-triethoxysilylheptatriacontan-1-ol.
What is the SMILES notation for 37-triethoxysilylheptatriacontan-1-ol?
The canonical SMILES for 37-triethoxysilylheptatriacontan-1-ol is CCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)(OCC)OCC.
What is the InChIKey of 37-triethoxysilylheptatriacontan-1-ol?
The InChIKey is IUPIICLBJQNESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H90O4Si/c1-4-45-48(46-5-2,47-6-3)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44/h44H,4-43H2,1-3H3.
What are the key properties of 37-triethoxysilylheptatriacontan-1-ol?
37-triethoxysilylheptatriacontan-1-ol has a molecular weight of 699.27 g/mol, XLogP of 14.68, 43 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 37-triethoxysilylheptatriacontan-1-ol is sourced from PubChem (CID 87684596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).