1,3-bis(oxiran-2-yl)propyl-trimethoxysilane

C10H20O5Si — CID 59685245

IUPAC1,3-bis(oxiran-2-yl)propyl-trimethoxysilane
SMILESCO[Si](OC)(OC)C(CCC1CO1)C1CO1
InChIInChI=1S/C10H20O5Si/c1-11-16(12-2,13-3)10(9-7-15-9)5-4-8-6-14-8/h8-10H,4-7H2,1-3H3
InChIKeyUPULQYLTYCCSIL-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.81
Rot. Bonds8

About 1,3-bis(oxiran-2-yl)propyl-trimethoxysilane

1,3-bis(oxiran-2-yl)propyl-trimethoxysilane (PubChem CID 59685245) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 1,3-bis(oxiran-2-yl)propyl-trimethoxysilane.

Molecular Properties

Compound Name1,3-bis(oxiran-2-yl)propyl-trimethoxysilane
PubChem CID59685245
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1,3-bis(oxiran-2-yl)propyl-trimethoxysilane
SMILESCO[Si](OC)(OC)C(CCC1CO1)C1CO1
InChIInChI=1S/C10H20O5Si/c1-11-16(12-2,13-3)10(9-7-15-9)5-4-8-6-14-8/h8-10H,4-7H2,1-3H3
InChIKeyUPULQYLTYCCSIL-UHFFFAOYSA-N
XLogP0.81
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.81
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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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(oxiran-2-yl)propyl-trimethoxysilane?
The IUPAC name of 1,3-bis(oxiran-2-yl)propyl-trimethoxysilane (CID 59685245) is 1,3-bis(oxiran-2-yl)propyl-trimethoxysilane.
What is the SMILES notation for 1,3-bis(oxiran-2-yl)propyl-trimethoxysilane?
The canonical SMILES for 1,3-bis(oxiran-2-yl)propyl-trimethoxysilane is CO[Si](OC)(OC)C(CCC1CO1)C1CO1.
What is the InChIKey of 1,3-bis(oxiran-2-yl)propyl-trimethoxysilane?
The InChIKey is UPULQYLTYCCSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-11-16(12-2,13-3)10(9-7-15-9)5-4-8-6-14-8/h8-10H,4-7H2,1-3H3.
What are the key properties of 1,3-bis(oxiran-2-yl)propyl-trimethoxysilane?
1,3-bis(oxiran-2-yl)propyl-trimethoxysilane has a molecular weight of 248.35 g/mol, XLogP of 0.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(oxiran-2-yl)propyl-trimethoxysilane is sourced from PubChem (CID 59685245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).