trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane

C13H28OSi — CID 134889678

IUPACtrimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane
SMILESCCCCC[C@@]1([Si](C)(C)C)O[C@H]1CCC
InChIInChI=1S/C13H28OSi/c1-6-8-9-11-13(15(3,4)5)12(14-13)10-7-2/h12H,6-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyIFGCWPBSCKWGAX-STQMWFEESA-N
MW228.45 g/mol
LogP4.38
Rot. Bonds7

About trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane

trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane (PubChem CID 134889678) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane
PubChem CID134889678
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Nametrimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane
SMILESCCCCC[C@@]1([Si](C)(C)C)O[C@H]1CCC
InChIInChI=1S/C13H28OSi/c1-6-8-9-11-13(15(3,4)5)12(14-13)10-7-2/h12H,6-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyIFGCWPBSCKWGAX-STQMWFEESA-N
XLogP4.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

2-Methyl-3-pentyloxirane
CID 102957
2,3-Dihexyloxirane
CID 5743975
2-Ethyl-3-heptyloxirane
CID 20341889
(2R,3S)-2-ethyl-3-heptyloxirane
CID 131847730
2-Heptyl-3-methyloxirane
CID 529153
2-Pentyl-3-propyloxirane
CID 529173
(2S,3R)-2-methyl-3-pentyloxirane
CID 9964093
Hexyl 1,2-epoxynonane
CID 141026346
Trimethyl-(3-octyl-2-trimethylsilyloxiran-2-yl)silane
CID 10946529
(2S,3R)-2,3-dipentyloxirane
CID 11063092
(2R,3R)-2,3-dipentyloxirane
CID 14086942
2-Ethyl-3-pentyloxirane
CID 534445

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane?
The IUPAC name of trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane (CID 134889678) is trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane.
What is the SMILES notation for trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane?
The canonical SMILES for trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane is CCCCC[C@@]1([Si](C)(C)C)O[C@H]1CCC.
What is the InChIKey of trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane?
The InChIKey is IFGCWPBSCKWGAX-STQMWFEESA-N. The full InChI is InChI=1S/C13H28OSi/c1-6-8-9-11-13(15(3,4)5)12(14-13)10-7-2/h12H,6-11H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane?
trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane has a molecular weight of 228.45 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S,3S)-2-pentyl-3-propyloxiran-2-yl]silane is sourced from PubChem (CID 134889678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).