[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane

C15H30O3Si — CID 54203936

IUPAC[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane
SMILESCCO[Si](C)(CC=C(C)CCC1OC1(C)C)OCC
InChIInChI=1S/C15H30O3Si/c1-7-16-19(6,17-8-2)12-11-13(3)9-10-14-15(4,5)18-14/h11,14H,7-10,12H2,1-6H3
InChIKeyPREQQKYORYXACQ-UHFFFAOYSA-N
MW286.49 g/mol
LogP4.04
Rot. Bonds9

About [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane

[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane (PubChem CID 54203936) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane.

Molecular Properties

Compound Name[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane
PubChem CID54203936
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane
SMILESCCO[Si](C)(CC=C(C)CCC1OC1(C)C)OCC
InChIInChI=1S/C15H30O3Si/c1-7-16-19(6,17-8-2)12-11-13(3)9-10-14-15(4,5)18-14/h11,14H,7-10,12H2,1-6H3
InChIKeyPREQQKYORYXACQ-UHFFFAOYSA-N
XLogP4.04
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane?
The IUPAC name of [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane (CID 54203936) is [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane.
What is the SMILES notation for [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane?
The canonical SMILES for [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane is CCO[Si](C)(CC=C(C)CCC1OC1(C)C)OCC.
What is the InChIKey of [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane?
The InChIKey is PREQQKYORYXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-7-16-19(6,17-8-2)12-11-13(3)9-10-14-15(4,5)18-14/h11,14H,7-10,12H2,1-6H3.
What are the key properties of [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane?
[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane has a molecular weight of 286.49 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-diethoxy-methylsilane is sourced from PubChem (CID 54203936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).