4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol

C9H20O2Si — CID 11389866

IUPAC4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol
SMILESC[Si](C)(C)[C@@H]1O[C@@H]1CCCCO
InChIInChI=1S/C9H20O2Si/c1-12(2,3)9-8(11-9)6-4-5-7-10/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyKEPDYGSSVHOYLQ-BDAKNGLRSA-N
MW188.34 g/mol
LogP1.79
Rot. Bonds5

About 4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol

4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol (PubChem CID 11389866) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol
PubChem CID11389866
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol
SMILESC[Si](C)(C)[C@@H]1O[C@@H]1CCCCO
InChIInChI=1S/C9H20O2Si/c1-12(2,3)9-8(11-9)6-4-5-7-10/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyKEPDYGSSVHOYLQ-BDAKNGLRSA-N
XLogP1.79
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol?
The IUPAC name of 4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol (CID 11389866) is 4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol.
What is the SMILES notation for 4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol?
The canonical SMILES for 4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol is C[Si](C)(C)[C@@H]1O[C@@H]1CCCCO.
What is the InChIKey of 4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol?
The InChIKey is KEPDYGSSVHOYLQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-12(2,3)9-8(11-9)6-4-5-7-10/h8-10H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of 4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol?
4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol has a molecular weight of 188.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-3-trimethylsilyloxiran-2-yl]butan-1-ol is sourced from PubChem (CID 11389866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).