trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane

C12H26O5Si — CID 175023588

IUPACtrimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane
SMILESCCCC(OC(CC)[Si](OC)(OC)OC)C1CO1
InChIInChI=1S/C12H26O5Si/c1-6-8-10(11-9-16-11)17-12(7-2)18(13-3,14-4)15-5/h10-12H,6-9H2,1-5H3
InChIKeyZXWQYHGBYSAPGZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.77
Rot. Bonds10

About trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane

trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane (PubChem CID 175023588) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane
PubChem CID175023588
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Nametrimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane
SMILESCCCC(OC(CC)[Si](OC)(OC)OC)C1CO1
InChIInChI=1S/C12H26O5Si/c1-6-8-10(11-9-16-11)17-12(7-2)18(13-3,14-4)15-5/h10-12H,6-9H2,1-5H3
InChIKeyZXWQYHGBYSAPGZ-UHFFFAOYSA-N
XLogP1.77
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[1-(oxiran-2-yl)butoxy]silane
CID 87853116
2-[1-(oxiran-2-yl)butoxymethyl]oxirane
CID 151610662
lithium;butane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 174857617
triethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane;trimethoxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 87862101
1,3-bis(oxiran-2-yl)propyl-trimethoxysilane
CID 59685245
2-[(E)-1-[(E)-1-(oxiran-2-yl)hexadec-4-enoxy]hexadec-4-enyl]oxirane
CID 135377322
butyl-dimethyl-[(1R)-1-(oxiran-2-yl)propoxy]silane
CID 87356487
CID 18963637
CID 18963637
1-butoxypropyl(trimethoxy)silane
CID 174729395
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane
CID 175060731

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane?
The IUPAC name of trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane (CID 175023588) is trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane.
What is the SMILES notation for trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane?
The canonical SMILES for trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane is CCCC(OC(CC)[Si](OC)(OC)OC)C1CO1.
What is the InChIKey of trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane?
The InChIKey is ZXWQYHGBYSAPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si/c1-6-8-10(11-9-16-11)17-12(7-2)18(13-3,14-4)15-5/h10-12H,6-9H2,1-5H3.
What are the key properties of trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane?
trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane has a molecular weight of 278.42 g/mol, XLogP of 1.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-[1-(oxiran-2-yl)butoxy]propyl]silane is sourced from PubChem (CID 175023588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).