propyl 4-trimethoxysilylbutanoate

C10H22O5Si — CID 174313237

IUPACpropyl 4-trimethoxysilylbutanoate
SMILESCCCOC(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C10H22O5Si/c1-5-8-15-10(11)7-6-9-16(12-2,13-3)14-4/h5-9H2,1-4H3
InChIKeyBGTFSGBMQGTWDT-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.60
Rot. Bonds9

About propyl 4-trimethoxysilylbutanoate

propyl 4-trimethoxysilylbutanoate (PubChem CID 174313237) has the molecular formula C10H22O5Si and a molecular weight of 250.37 g/mol. Its IUPAC name is propyl 4-trimethoxysilylbutanoate.

Molecular Properties

Compound Namepropyl 4-trimethoxysilylbutanoate
PubChem CID174313237
Molecular FormulaC10H22O5Si
Molecular Weight250.37 g/mol
Exact Mass250.12
IUPAC Namepropyl 4-trimethoxysilylbutanoate
SMILESCCCOC(=O)CCC[Si](OC)(OC)OC
InChIInChI=1S/C10H22O5Si/c1-5-8-15-10(11)7-6-9-16(12-2,13-3)14-4/h5-9H2,1-4H3
InChIKeyBGTFSGBMQGTWDT-UHFFFAOYSA-N
XLogP1.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 4-trimethoxysilylbutanoate
CID 58986420
2-ethoxyethyl 5-trimethoxysilylpentanoate
CID 158197775
bismuthane;propyl pentanoate
CID 174550006
dimethyl pentanedioate;dipropyl butanedioate
CID 174797581
propyl docosanoate
CID 3015299
1-O-propyl 10-O-tetradecyl decanedioate
CID 91736271
methane;propyl butanoate
CID 157187060
propyl 4-(trichloro-λ4-sulfanyl)butanoate
CID 134339192
ethane-1,2-diol;propyl octadecanoate
CID 87479973
(decyl-methoxy-octadecanoyloxysilyl) octadecanoate
CID 175034146
dipropyl 4,7-dioxodecanedioate
CID 174356334
propyl 3-hydroxypropanoate
CID 12778693

Frequently Asked Questions

What is the IUPAC name of propyl 4-trimethoxysilylbutanoate?
The IUPAC name of propyl 4-trimethoxysilylbutanoate (CID 174313237) is propyl 4-trimethoxysilylbutanoate.
What is the SMILES notation for propyl 4-trimethoxysilylbutanoate?
The canonical SMILES for propyl 4-trimethoxysilylbutanoate is CCCOC(=O)CCC[Si](OC)(OC)OC.
What is the InChIKey of propyl 4-trimethoxysilylbutanoate?
The InChIKey is BGTFSGBMQGTWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5Si/c1-5-8-15-10(11)7-6-9-16(12-2,13-3)14-4/h5-9H2,1-4H3.
What are the key properties of propyl 4-trimethoxysilylbutanoate?
propyl 4-trimethoxysilylbutanoate has a molecular weight of 250.37 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-trimethoxysilylbutanoate is sourced from PubChem (CID 174313237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).