triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane

C14H30O5Si — CID 175078936

IUPACtriethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC)OCCCC1CO1
InChIInChI=1S/C14H30O5Si/c1-5-14(15-11-9-10-13-12-16-13)20(17-6-2,18-7-3)19-8-4/h13-14H,5-12H2,1-4H3
InChIKeyJUFMSHGDBZEMGO-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.55
Rot. Bonds13

About triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane

triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane (PubChem CID 175078936) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane
PubChem CID175078936
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Nametriethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC)OCCCC1CO1
InChIInChI=1S/C14H30O5Si/c1-5-14(15-11-9-10-13-12-16-13)20(17-6-2,18-7-3)19-8-4/h13-14H,5-12H2,1-4H3
InChIKeyJUFMSHGDBZEMGO-UHFFFAOYSA-N
XLogP2.55
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.55
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87862101
triethoxy-[1-[(3-ethyloxetan-2-yl)methoxy]propyl]silane
CID 66790517
1-[3-(oxiran-2-yl)propoxy]butan-2-ol
CID 140851911
lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 174857617
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631
triethoxy(1-prop-2-enoxypropyl)silane
CID 18672771
butoxy-dimethoxy-[3-(oxiran-2-yl)propyl]silane
CID 175382377
butyl-dimethyl-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87929298
trihexyl 4-(oxiran-2-yl)butyl silicate
CID 22098092
butan-2-yloxy-diethoxy-[2-(oxiran-2-yl)ethyl]silane
CID 175371558
1-butoxypropyl(trimethoxy)silane
CID 174729395
CID 18963637
CID 18963637

Frequently Asked Questions

What is the IUPAC name of triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane?
The IUPAC name of triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane (CID 175078936) is triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane.
What is the SMILES notation for triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane?
The canonical SMILES for triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane is CCO[Si](OCC)(OCC)C(CC)OCCCC1CO1.
What is the InChIKey of triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane?
The InChIKey is JUFMSHGDBZEMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-5-14(15-11-9-10-13-12-16-13)20(17-6-2,18-7-3)19-8-4/h13-14H,5-12H2,1-4H3.
What are the key properties of triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane?
triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane has a molecular weight of 306.48 g/mol, XLogP of 2.55, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-[3-(oxiran-2-yl)propoxy]propyl]silane is sourced from PubChem (CID 175078936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).