1-trimethoxysilylpropyl nonanoate

C15H32O5Si — CID 22902855

IUPAC1-trimethoxysilylpropyl nonanoate
SMILESCCCCCCCCC(=O)OC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C15H32O5Si/c1-6-8-9-10-11-12-13-14(16)20-15(7-2)21(17-3,18-4)19-5/h15H,6-13H2,1-5H3
InChIKeyARDXIAASYIFVFP-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.48
Rot. Bonds13

About 1-trimethoxysilylpropyl nonanoate

1-trimethoxysilylpropyl nonanoate (PubChem CID 22902855) has the molecular formula C15H32O5Si and a molecular weight of 320.50 g/mol. Its IUPAC name is 1-trimethoxysilylpropyl nonanoate.

Molecular Properties

Compound Name1-trimethoxysilylpropyl nonanoate
PubChem CID22902855
Molecular FormulaC15H32O5Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Name1-trimethoxysilylpropyl nonanoate
SMILESCCCCCCCCC(=O)OC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C15H32O5Si/c1-6-8-9-10-11-12-13-14(16)20-15(7-2)21(17-3,18-4)19-5/h15H,6-13H2,1-5H3
InChIKeyARDXIAASYIFVFP-UHFFFAOYSA-N
XLogP3.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.48
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

1-methoxypropyl octadecanoate
CID 20514350
(1-decanoyloxy-2-oxopropyl) decanoate
CID 87879463
1-hydroxypropyl hexadecanoate
CID 20514368
1-hydroxypropyl tetradecanoate
CID 20514336
1-hydroxypropyl icosanoate
CID 155673375
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
dihydroxymethyl nonanoate
CID 118275765
propan-2-yl undecanoate
CID 3016538
1-methoxyethyl hexadecanoate
CID 20514386
1-aminopropyl hexadecanoate
CID 87346245
1-chloropropyl octanoate
CID 177226407
1-hydroxyethyl decanoate
CID 176884014

Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylpropyl nonanoate?
The IUPAC name of 1-trimethoxysilylpropyl nonanoate (CID 22902855) is 1-trimethoxysilylpropyl nonanoate.
What is the SMILES notation for 1-trimethoxysilylpropyl nonanoate?
The canonical SMILES for 1-trimethoxysilylpropyl nonanoate is CCCCCCCCC(=O)OC(CC)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpropyl nonanoate?
The InChIKey is ARDXIAASYIFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5Si/c1-6-8-9-10-11-12-13-14(16)20-15(7-2)21(17-3,18-4)19-5/h15H,6-13H2,1-5H3.
What are the key properties of 1-trimethoxysilylpropyl nonanoate?
1-trimethoxysilylpropyl nonanoate has a molecular weight of 320.50 g/mol, XLogP of 3.48, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpropyl nonanoate is sourced from PubChem (CID 22902855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).