[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane

C13H26O2Si — CID 173348521

IUPAC[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane
SMILESC/C(=C\CC[Si](C)(C)O)CCC1OC1(C)C
InChIInChI=1S/C13H26O2Si/c1-11(7-6-10-16(4,5)14)8-9-12-13(2,3)15-12/h7,12,14H,6,8-10H2,1-5H3/b11-7+
InChIKeyXUFBLASXMXJEJE-YRNVUSSQSA-N
MW242.43 g/mol
LogP3.48
Rot. Bonds6

About [(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane

[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane (PubChem CID 173348521) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane.

Molecular Properties

Compound Name[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane
PubChem CID173348521
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane
SMILESC/C(=C\CC[Si](C)(C)O)CCC1OC1(C)C
InChIInChI=1S/C13H26O2Si/c1-11(7-6-10-16(4,5)14)8-9-12-13(2,3)15-12/h7,12,14H,6,8-10H2,1-5H3/b11-7+
InChIKeyXUFBLASXMXJEJE-YRNVUSSQSA-N
XLogP3.48
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane?
The IUPAC name of [(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane (CID 173348521) is [(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane.
What is the SMILES notation for [(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane?
The canonical SMILES for [(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane is C/C(=C\CC[Si](C)(C)O)CCC1OC1(C)C.
What is the InChIKey of [(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane?
The InChIKey is XUFBLASXMXJEJE-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(7-6-10-16(4,5)14)8-9-12-13(2,3)15-12/h7,12,14H,6,8-10H2,1-5H3/b11-7+.
What are the key properties of [(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane?
[(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-(3,3-dimethyloxiran-2-yl)-4-methylhex-3-enyl]-hydroxy-dimethylsilane is sourced from PubChem (CID 173348521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).