tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane

C26H38O4Si — CID 11037593

IUPACtert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane
SMILESCO[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C[C@H]1CO1)OC
InChIInChI=1S/C26H38O4Si/c1-26(2,3)31(24-12-8-6-9-13-24,25-14-10-7-11-15-25)30-17-16-21(27-4)18-22(28-5)19-23-20-29-23/h6-15,21-23H,16-20H2,1-5H3/t21-,22-,23-/m0/s1
InChIKeyNLMAIDWBLYHUSI-VABKMULXSA-N
MW442.67 g/mol
LogP4.16
Rot. Bonds12

About tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane

tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane (PubChem CID 11037593) has the molecular formula C26H38O4Si and a molecular weight of 442.67 g/mol. Its IUPAC name is tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane
PubChem CID11037593
Molecular FormulaC26H38O4Si
Molecular Weight442.67 g/mol
Exact Mass442.25
IUPAC Nametert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane
SMILESCO[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C[C@H]1CO1)OC
InChIInChI=1S/C26H38O4Si/c1-26(2,3)31(24-12-8-6-9-13-24,25-14-10-7-11-15-25)30-17-16-21(27-4)18-22(28-5)19-23-20-29-23/h6-15,21-23H,16-20H2,1-5H3/t21-,22-,23-/m0/s1
InChIKeyNLMAIDWBLYHUSI-VABKMULXSA-N
XLogP4.16
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.67
LogP ≤ 54.16
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'}

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Related Compounds

tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11420340
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
[(1R,2S)-2-[(2R)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]cyclopropyl]methanol
CID 11025376
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
CID 101226506
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane
CID 91526312
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane (CID 11037593) is tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane is CO[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C[C@H]1CO1)OC.
What is the InChIKey of tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane?
The InChIKey is NLMAIDWBLYHUSI-VABKMULXSA-N. The full InChI is InChI=1S/C26H38O4Si/c1-26(2,3)31(24-12-8-6-9-13-24,25-14-10-7-11-15-25)30-17-16-21(27-4)18-22(28-5)19-23-20-29-23/h6-15,21-23H,16-20H2,1-5H3/t21-,22-,23-/m0/s1.
What are the key properties of tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane?
tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane has a molecular weight of 442.67 g/mol, XLogP of 4.16, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane is sourced from PubChem (CID 11037593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).