30-triethoxysilyltriacontanoic acid

C36H74O5Si — CID 87687022

IUPAC30-triethoxysilyltriacontanoic acid
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)(OCC)OCC
InChIInChI=1S/C36H74O5Si/c1-4-39-42(40-5-2,41-6-3)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(37)38/h4-35H2,1-3H3,(H,37,38)
InChIKeyCLJSZJLCRRUEKR-UHFFFAOYSA-N
MW615.07 g/mol
LogP12.04
Rot. Bonds36

About 30-triethoxysilyltriacontanoic acid

30-triethoxysilyltriacontanoic acid (PubChem CID 87687022) has the molecular formula C36H74O5Si and a molecular weight of 615.07 g/mol. Its IUPAC name is 30-triethoxysilyltriacontanoic acid.

Molecular Properties

Compound Name30-triethoxysilyltriacontanoic acid
PubChem CID87687022
Molecular FormulaC36H74O5Si
Molecular Weight615.07 g/mol
Exact Mass614.53
IUPAC Name30-triethoxysilyltriacontanoic acid
SMILESCCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)(OCC)OCC
InChIInChI=1S/C36H74O5Si/c1-4-39-42(40-5-2,41-6-3)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(37)38/h4-35H2,1-3H3,(H,37,38)
InChIKeyCLJSZJLCRRUEKR-UHFFFAOYSA-N
XLogP12.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.07
LogP ≤ 512.04
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

11-triethoxysilylundecanoic acid
CID 22725829
18-triethoxysilyloctadecanoic acid
CID 87685990
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
8-triethoxysilyloctanethioic S-acid
CID 87672935
bis(carbamothioic S-acid);dodecanoic acid;triethoxy(propyl)silane
CID 174555694
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
(Z)-octadec-9-enoic acid;3-triethoxysilylpropan-1-amine
CID 175228614
S-(5-triethoxysilylpentyl) icosanethioate
CID 175847845
dodecyl(triethoxy)silane;tridecane
CID 174970002
ethyl acetate;3-triethoxysilylpropanoic acid
CID 175314262
1-butyl-3-(8-oxo-12-triethoxysilyldodecyl)urea
CID 58571374

Frequently Asked Questions

What is the IUPAC name of 30-triethoxysilyltriacontanoic acid?
The IUPAC name of 30-triethoxysilyltriacontanoic acid (CID 87687022) is 30-triethoxysilyltriacontanoic acid.
What is the SMILES notation for 30-triethoxysilyltriacontanoic acid?
The canonical SMILES for 30-triethoxysilyltriacontanoic acid is CCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)(OCC)OCC.
What is the InChIKey of 30-triethoxysilyltriacontanoic acid?
The InChIKey is CLJSZJLCRRUEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O5Si/c1-4-39-42(40-5-2,41-6-3)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(37)38/h4-35H2,1-3H3,(H,37,38).
What are the key properties of 30-triethoxysilyltriacontanoic acid?
30-triethoxysilyltriacontanoic acid has a molecular weight of 615.07 g/mol, XLogP of 12.04, 36 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 30-triethoxysilyltriacontanoic acid is sourced from PubChem (CID 87687022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).