tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane

C15H32O5Si — CID 59441458

IUPACtert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
SMILESCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC
InChIInChI=1S/C15H32O5Si/c1-10-11(16-5)12(17-6)13(18-7)14(19-10)20-21(8,9)15(2,3)4/h10-14H,1-9H3/t10-,11-,12+,13+,14-/m0/s1
InChIKeyBODWHYULNQYCHM-QNSTZXKLSA-N
MW320.50 g/mol
LogP2.80
Rot. Bonds5

About tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane (PubChem CID 59441458) has the molecular formula C15H32O5Si and a molecular weight of 320.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
PubChem CID59441458
Molecular FormulaC15H32O5Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Nametert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
SMILESCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC
InChIInChI=1S/C15H32O5Si/c1-10-11(16-5)12(17-6)13(18-7)14(19-10)20-21(8,9)15(2,3)4/h10-14H,1-9H3/t10-,11-,12+,13+,14-/m0/s1
InChIKeyBODWHYULNQYCHM-QNSTZXKLSA-N
XLogP2.80
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane (CID 59441458) is tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane is CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC.
What is the InChIKey of tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane?
The InChIKey is BODWHYULNQYCHM-QNSTZXKLSA-N. The full InChI is InChI=1S/C15H32O5Si/c1-10-11(16-5)12(17-6)13(18-7)14(19-10)20-21(8,9)15(2,3)4/h10-14H,1-9H3/t10-,11-,12+,13+,14-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane has a molecular weight of 320.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane is sourced from PubChem (CID 59441458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).