trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane

C9H18OSi — CID 19604570

IUPACtrimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane
SMILESC[Si](C)(C)C/C=C/CC1CO1
InChIInChI=1S/C9H18OSi/c1-11(2,3)7-5-4-6-9-8-10-9/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKeyXDOXFRFLKQBNNT-SNAWJCMRSA-N
MW170.33 g/mol
LogP2.67
Rot. Bonds4

About trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane

trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane (PubChem CID 19604570) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane
PubChem CID19604570
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Nametrimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane
SMILESC[Si](C)(C)C/C=C/CC1CO1
InChIInChI=1S/C9H18OSi/c1-11(2,3)7-5-4-6-9-8-10-9/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKeyXDOXFRFLKQBNNT-SNAWJCMRSA-N
XLogP2.67
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane?
The IUPAC name of trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane (CID 19604570) is trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane?
The canonical SMILES for trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane is C[Si](C)(C)C/C=C/CC1CO1.
What is the InChIKey of trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane?
The InChIKey is XDOXFRFLKQBNNT-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H18OSi/c1-11(2,3)7-5-4-6-9-8-10-9/h4-5,9H,6-8H2,1-3H3/b5-4+.
What are the key properties of trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane?
trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane has a molecular weight of 170.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-4-(oxiran-2-yl)but-2-enyl]silane is sourced from PubChem (CID 19604570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).