tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane

C25H36O3Si — CID 23240942

IUPACtert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
SMILESCO[C@H]1CCCO[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O3Si/c1-25(2,3)29(21-13-7-5-8-14-21,22-15-9-6-10-16-22)28-20-12-18-24-23(26-4)17-11-19-27-24/h5-10,13-16,23-24H,11-12,17-20H2,1-4H3/t23-,24-/m0/s1
InChIKeyKFMMYSNYEVRSBW-ZEQRLZLVSA-N
MW412.65 g/mol
LogP4.54
Rot. Bonds8

About tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane

tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane (PubChem CID 23240942) has the molecular formula C25H36O3Si and a molecular weight of 412.65 g/mol. Its IUPAC name is tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
PubChem CID23240942
Molecular FormulaC25H36O3Si
Molecular Weight412.65 g/mol
Exact Mass412.24
IUPAC Nametert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
SMILESCO[C@H]1CCCO[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36O3Si/c1-25(2,3)29(21-13-7-5-8-14-21,22-15-9-6-10-16-22)28-20-12-18-24-23(26-4)17-11-19-27-24/h5-10,13-16,23-24H,11-12,17-20H2,1-4H3/t23-,24-/m0/s1
InChIKeyKFMMYSNYEVRSBW-ZEQRLZLVSA-N
XLogP4.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.65
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 101368247
CID 101368247
tert-butyl-[2-[(2R,3S)-3-methoxy-2,3,4,7-tetrahydrooxepin-2-yl]ethoxy]-diphenylsilane
CID 146164183
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol
CID 135021145
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
(2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
CID 10646782
(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
CID 102426988
(4aS,6R,7Z,10aR)-6-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3,4,4a,6,10,10a-hexahydro-2H-pyrano[3,2-b]oxocin-9-one
CID 24756174
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747
tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
CID 23240933
(2S,3R,6S,7R)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-methoxy-2-prop-2-enyloxepan-3-ol
CID 146164177

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane (CID 23240942) is tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane is CO[C@H]1CCCO[C@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane?
The InChIKey is KFMMYSNYEVRSBW-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H36O3Si/c1-25(2,3)29(21-13-7-5-8-14-21,22-15-9-6-10-16-22)28-20-12-18-24-23(26-4)17-11-19-27-24/h5-10,13-16,23-24H,11-12,17-20H2,1-4H3/t23-,24-/m0/s1.
What are the key properties of tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane?
tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane has a molecular weight of 412.65 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane is sourced from PubChem (CID 23240942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).