2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane

C18H32O4Si — CID 102436340

IUPAC2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane
SMILESC#C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C(C)C)[C@H]([C@H]2CO2)[C@@H](OC)O1
InChIInChI=1S/C18H32O4Si/c1-9-13-10-14(16(15-11-20-15)17(19-6)21-13)22-23(7,8)18(4,5)12(2)3/h1,12-17H,10-11H2,2-8H3/t13-,14-,15-,16-,17+/m1/s1
InChIKeyBPBNTMMDBYONKM-HHARLNAUSA-N
MW340.54 g/mol
LogP3.42
Rot. Bonds6

About 2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane

2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane (PubChem CID 102436340) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane
PubChem CID102436340
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane
SMILESC#C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C(C)C)[C@H]([C@H]2CO2)[C@@H](OC)O1
InChIInChI=1S/C18H32O4Si/c1-9-13-10-14(16(15-11-20-15)17(19-6)21-13)22-23(7,8)18(4,5)12(2)3/h1,12-17H,10-11H2,2-8H3/t13-,14-,15-,16-,17+/m1/s1
InChIKeyBPBNTMMDBYONKM-HHARLNAUSA-N
XLogP3.42
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane?
The IUPAC name of 2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane (CID 102436340) is 2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for 2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane is C#C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C(C)C)[C@H]([C@H]2CO2)[C@@H](OC)O1.
What is the InChIKey of 2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane?
The InChIKey is BPBNTMMDBYONKM-HHARLNAUSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-9-13-10-14(16(15-11-20-15)17(19-6)21-13)22-23(7,8)18(4,5)12(2)3/h1,12-17H,10-11H2,2-8H3/t13-,14-,15-,16-,17+/m1/s1.
What are the key properties of 2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane?
2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane has a molecular weight of 340.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl-[(2S,3S,4R,6S)-6-ethynyl-2-methoxy-3-[(2S)-oxiran-2-yl]oxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 102436340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).