(hexyl-methoxy-octadecanoyloxysilyl) octadecanoate

C43H86O5Si — CID 175034042

IUPAC(hexyl-methoxy-octadecanoyloxysilyl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Si](CCCCCC)(OC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H86O5Si/c1-5-8-11-14-16-18-20-22-24-26-28-30-32-34-36-39-42(44)47-49(46-4,41-38-13-10-7-3)48-43(45)40-37-35-33-31-29-27-25-23-21-19-17-15-12-9-6-2/h5-41H2,1-4H3
InChIKeyRZCPIODPURNPKJ-UHFFFAOYSA-N
MW711.24 g/mol
LogP14.76
Rot. Bonds40

About (hexyl-methoxy-octadecanoyloxysilyl) octadecanoate

(hexyl-methoxy-octadecanoyloxysilyl) octadecanoate (PubChem CID 175034042) has the molecular formula C43H86O5Si and a molecular weight of 711.24 g/mol. Its IUPAC name is (hexyl-methoxy-octadecanoyloxysilyl) octadecanoate.

Molecular Properties

Compound Name(hexyl-methoxy-octadecanoyloxysilyl) octadecanoate
PubChem CID175034042
Molecular FormulaC43H86O5Si
Molecular Weight711.24 g/mol
Exact Mass710.62
IUPAC Name(hexyl-methoxy-octadecanoyloxysilyl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Si](CCCCCC)(OC)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H86O5Si/c1-5-8-11-14-16-18-20-22-24-26-28-30-32-34-36-39-42(44)47-49(46-4,41-38-13-10-7-3)48-43(45)40-37-35-33-31-29-27-25-23-21-19-17-15-12-9-6-2/h5-41H2,1-4H3
InChIKeyRZCPIODPURNPKJ-UHFFFAOYSA-N
XLogP14.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds40
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.24
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(decyl-methoxy-octadecanoyloxysilyl) octadecanoate
CID 175034146
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
S-(4-trimethoxysilylbutyl) hexadecanethioate
CID 175847888
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
trimethylsilyl icosanoate
CID 521648
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207

Frequently Asked Questions

What is the IUPAC name of (hexyl-methoxy-octadecanoyloxysilyl) octadecanoate?
The IUPAC name of (hexyl-methoxy-octadecanoyloxysilyl) octadecanoate (CID 175034042) is (hexyl-methoxy-octadecanoyloxysilyl) octadecanoate.
What is the SMILES notation for (hexyl-methoxy-octadecanoyloxysilyl) octadecanoate?
The canonical SMILES for (hexyl-methoxy-octadecanoyloxysilyl) octadecanoate is CCCCCCCCCCCCCCCCCC(=O)O[Si](CCCCCC)(OC)OC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of (hexyl-methoxy-octadecanoyloxysilyl) octadecanoate?
The InChIKey is RZCPIODPURNPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H86O5Si/c1-5-8-11-14-16-18-20-22-24-26-28-30-32-34-36-39-42(44)47-49(46-4,41-38-13-10-7-3)48-43(45)40-37-35-33-31-29-27-25-23-21-19-17-15-12-9-6-2/h5-41H2,1-4H3.
What are the key properties of (hexyl-methoxy-octadecanoyloxysilyl) octadecanoate?
(hexyl-methoxy-octadecanoyloxysilyl) octadecanoate has a molecular weight of 711.24 g/mol, XLogP of 14.76, 40 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (hexyl-methoxy-octadecanoyloxysilyl) octadecanoate is sourced from PubChem (CID 175034042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).