[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane

C13H26O2Si — CID 10633954

IUPAC[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C)CC[C@H]1OC1(C)C
InChIInChI=1S/C13H26O2Si/c1-11(9-10-14-16(4,5)6)7-8-12-13(2,3)15-12/h9,12H,7-8,10H2,1-6H3/b11-9+/t12-/m1/s1
InChIKeyGOPCXVNROXWEMI-LMMOQWNQSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds6

About [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane

[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane (PubChem CID 10633954) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane
PubChem CID10633954
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane
SMILESC/C(=C\CO[Si](C)(C)C)CC[C@H]1OC1(C)C
InChIInChI=1S/C13H26O2Si/c1-11(9-10-14-16(4,5)6)7-8-12-13(2,3)15-12/h9,12H,7-8,10H2,1-6H3/b11-9+/t12-/m1/s1
InChIKeyGOPCXVNROXWEMI-LMMOQWNQSA-N
XLogP3.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
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)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane?
The IUPAC name of [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane (CID 10633954) is [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane is C/C(=C\CO[Si](C)(C)C)CC[C@H]1OC1(C)C.
What is the InChIKey of [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane?
The InChIKey is GOPCXVNROXWEMI-LMMOQWNQSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(9-10-14-16(4,5)6)7-8-12-13(2,3)15-12/h9,12H,7-8,10H2,1-6H3/b11-9+/t12-/m1/s1.
What are the key properties of [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane?
[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-trimethylsilane is sourced from PubChem (CID 10633954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).