(E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol

C16H30O3Si — CID 25025433

IUPAC(E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol
SMILESC=C(C)C[C@]1([C@@H](/C=C/CO)O[Si](CC)(CC)CC)CO1
InChIInChI=1S/C16H30O3Si/c1-6-20(7-2,8-3)19-15(10-9-11-17)16(13-18-16)12-14(4)5/h9-10,15,17H,4,6-8,11-13H2,1-3,5H3/b10-9+/t15-,16-/m1/s1
InChIKeyYXNHQSCNAIYCLG-UETGSQEOSA-N
MW298.50 g/mol
LogP3.66
Rot. Bonds10

About (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol

(E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol (PubChem CID 25025433) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol.

Molecular Properties

Compound Name(E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol
PubChem CID25025433
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol
SMILESC=C(C)C[C@]1([C@@H](/C=C/CO)O[Si](CC)(CC)CC)CO1
InChIInChI=1S/C16H30O3Si/c1-6-20(7-2,8-3)19-15(10-9-11-17)16(13-18-16)12-14(4)5/h9-10,15,17H,4,6-8,11-13H2,1-3,5H3/b10-9+/t15-,16-/m1/s1
InChIKeyYXNHQSCNAIYCLG-UETGSQEOSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
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 (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol?
The IUPAC name of (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol (CID 25025433) is (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol.
What is the SMILES notation for (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol?
The canonical SMILES for (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol is C=C(C)C[C@]1([C@@H](/C=C/CO)O[Si](CC)(CC)CC)CO1.
What is the InChIKey of (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol?
The InChIKey is YXNHQSCNAIYCLG-UETGSQEOSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-6-20(7-2,8-3)19-15(10-9-11-17)16(13-18-16)12-14(4)5/h9-10,15,17H,4,6-8,11-13H2,1-3,5H3/b10-9+/t15-,16-/m1/s1.
What are the key properties of (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol?
(E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol has a molecular weight of 298.50 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]-4-triethylsilyloxybut-2-en-1-ol is sourced from PubChem (CID 25025433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).