[2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane

C13H26O5Si — CID 175518206

IUPAC[2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane
SMILESCCC(C=CCOCC1CO1)CO[Si](C)(OC)OC
InChIInChI=1S/C13H26O5Si/c1-5-12(9-18-19(4,14-2)15-3)7-6-8-16-10-13-11-17-13/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeySQBZJUPBKPZAAN-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.86
Rot. Bonds11

About [2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane

[2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane (PubChem CID 175518206) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is [2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane.

Molecular Properties

Compound Name[2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane
PubChem CID175518206
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane
SMILESCCC(C=CCOCC1CO1)CO[Si](C)(OC)OC
InChIInChI=1S/C13H26O5Si/c1-5-12(9-18-19(4,14-2)15-3)7-6-8-16-10-13-11-17-13/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeySQBZJUPBKPZAAN-UHFFFAOYSA-N
XLogP1.86
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.86
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane?
The IUPAC name of [2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane (CID 175518206) is [2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane.
What is the SMILES notation for [2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane?
The canonical SMILES for [2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane is CCC(C=CCOCC1CO1)CO[Si](C)(OC)OC.
What is the InChIKey of [2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane?
The InChIKey is SQBZJUPBKPZAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-5-12(9-18-19(4,14-2)15-3)7-6-8-16-10-13-11-17-13/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of [2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane?
[2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane has a molecular weight of 290.43 g/mol, XLogP of 1.86, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane is sourced from PubChem (CID 175518206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).