ethyl 2-trimethoxysilylhexanoate

C11H24O5Si — CID 141147358

IUPACethyl 2-trimethoxysilylhexanoate
SMILESCCCCC(C(=O)OCC)[Si](OC)(OC)OC
InChIInChI=1S/C11H24O5Si/c1-6-8-9-10(11(12)16-7-2)17(13-3,14-4)15-5/h10H,6-9H2,1-5H3
InChIKeyWZMSZNYLYPVYLD-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.99
Rot. Bonds9

About ethyl 2-trimethoxysilylhexanoate

ethyl 2-trimethoxysilylhexanoate (PubChem CID 141147358) has the molecular formula C11H24O5Si and a molecular weight of 264.39 g/mol. Its IUPAC name is ethyl 2-trimethoxysilylhexanoate.

Molecular Properties

Compound Nameethyl 2-trimethoxysilylhexanoate
PubChem CID141147358
Molecular FormulaC11H24O5Si
Molecular Weight264.39 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-trimethoxysilylhexanoate
SMILESCCCCC(C(=O)OCC)[Si](OC)(OC)OC
InChIInChI=1S/C11H24O5Si/c1-6-8-9-10(11(12)16-7-2)17(13-3,14-4)15-5/h10H,6-9H2,1-5H3
InChIKeyWZMSZNYLYPVYLD-UHFFFAOYSA-N
XLogP1.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.99
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

ethyl 5-sulfanyl-2-triethoxysilylpentanoate
CID 174845024
ethyl 2-methylhexanoate
CID 12714009
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
(1-ethoxy-1-oxohexan-2-yl)phosphonic acid
CID 57168391
ethyl 2-carbamoylhexanoate
CID 13444608
ethyl (2R,3S)-2,3-dimethylheptanoate
CID 12933610
ethyl 2-(trimethylsilylmethyl)hexanoate
CID 10014095
ethyl 2-(methoxycarbonylamino)hexanoate
CID 91718664
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
ethane;ethyl 2-acetylhexanoate
CID 90770730
ethyl 4-acetyl-3-oxooctanoate
CID 174725021
ethyl 2-(2,3-dihydroxypropyl)hexanoate
CID 67260046

Frequently Asked Questions

What is the IUPAC name of ethyl 2-trimethoxysilylhexanoate?
The IUPAC name of ethyl 2-trimethoxysilylhexanoate (CID 141147358) is ethyl 2-trimethoxysilylhexanoate.
What is the SMILES notation for ethyl 2-trimethoxysilylhexanoate?
The canonical SMILES for ethyl 2-trimethoxysilylhexanoate is CCCCC(C(=O)OCC)[Si](OC)(OC)OC.
What is the InChIKey of ethyl 2-trimethoxysilylhexanoate?
The InChIKey is WZMSZNYLYPVYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5Si/c1-6-8-9-10(11(12)16-7-2)17(13-3,14-4)15-5/h10H,6-9H2,1-5H3.
What are the key properties of ethyl 2-trimethoxysilylhexanoate?
ethyl 2-trimethoxysilylhexanoate has a molecular weight of 264.39 g/mol, XLogP of 1.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-trimethoxysilylhexanoate is sourced from PubChem (CID 141147358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).