tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane

C40H58O4Si — CID 10886719

IUPACtert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane
SMILESCC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)[C@@H]1OC(C)(C)O[C@@H]([C@@H](C)COCc2ccccc2)[C@@H]1C
InChIInChI=1S/C40H58O4Si/c1-10-33(29-42-45(39(5,6)7,35-22-16-12-17-23-35)36-24-18-13-19-25-36)26-30(2)37-32(4)38(44-40(8,9)43-37)31(3)27-41-28-34-20-14-11-15-21-34/h11-25,30-33,37-38H,10,26-29H2,1-9H3/t30-,31-,32+,33-,37-,38-/m0/s1
InChIKeyJTGSATMEDLVJBY-SYZDZSLNSA-N
MW630.99 g/mol
LogP8.62
Rot. Bonds14

About tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane

tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane (PubChem CID 10886719) has the molecular formula C40H58O4Si and a molecular weight of 630.99 g/mol. Its IUPAC name is tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane
PubChem CID10886719
Molecular FormulaC40H58O4Si
Molecular Weight630.99 g/mol
Exact Mass630.41
IUPAC Nametert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane
SMILESCC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)[C@@H]1OC(C)(C)O[C@@H]([C@@H](C)COCc2ccccc2)[C@@H]1C
InChIInChI=1S/C40H58O4Si/c1-10-33(29-42-45(39(5,6)7,35-22-16-12-17-23-35)36-24-18-13-19-25-36)26-30(2)37-32(4)38(44-40(8,9)43-37)31(3)27-41-28-34-20-14-11-15-21-34/h11-25,30-33,37-38H,10,26-29H2,1-9H3/t30-,31-,32+,33-,37-,38-/m0/s1
InChIKeyJTGSATMEDLVJBY-SYZDZSLNSA-N
XLogP8.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.99
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane with MolForge

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Related Compounds

CID 101042348
CID 101042348
(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-[(2R,3R)-2-methyl-3-(2-phenylmethoxyethyl)oxiran-2-yl]propan-1-ol
CID 11752701
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 23242980
(5S,6R,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]non-1-en-5-ol
CID 71697287
N-[(E)-[(3S)-3-[(4S,5R,6S)-6-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pentyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]butan-2-ylidene]amino]-N-methylmethanamine
CID 135773452
(2S)-2-[(4S,5S,6R)-6-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-3-ol
CID 11315402
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butyl]-triphenylphosphanium
CID 71726280
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
N-[(E)-[(2S,6S,7S,9R)-7-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5R,6S)-6-[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pentyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-methyl-9-phenylmethoxydecan-3-ylidene]amino]-N-methylmethanamine
CID 11803884
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
prop-2-enyl (E,2R,3R,4R,5S,6S)-3,5-diacetyloxy-2-[(4R,5R,6R)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4,6,8-trimethyl-9-oxonon-7-enoate
CID 10908938

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane (CID 10886719) is tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane is CC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)[C@@H]1OC(C)(C)O[C@@H]([C@@H](C)COCc2ccccc2)[C@@H]1C.
What is the InChIKey of tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane?
The InChIKey is JTGSATMEDLVJBY-SYZDZSLNSA-N. The full InChI is InChI=1S/C40H58O4Si/c1-10-33(29-42-45(39(5,6)7,35-22-16-12-17-23-35)36-24-18-13-19-25-36)26-30(2)37-32(4)38(44-40(8,9)43-37)31(3)27-41-28-34-20-14-11-15-21-34/h11-25,30-33,37-38H,10,26-29H2,1-9H3/t30-,31-,32+,33-,37-,38-/m0/s1.
What are the key properties of tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane?
tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane has a molecular weight of 630.99 g/mol, XLogP of 8.62, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,4S)-2-ethyl-4-[(4S,5R,6S)-2,2,5-trimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]pentoxy]-diphenylsilane is sourced from PubChem (CID 10886719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).