[(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol

C28H50O6Si2 — CID 11489560

IUPAC[(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1CO
InChIInChI=1S/C28H50O6Si2/c1-12-22(34-36(10,11)28(5,6)7)25(20-31-35(8,9)27(2,3)4)32-24-19-30-26(33-23(24)18-29)21-16-14-13-15-17-21/h12-17,22-26,29H,1,18-20H2,2-11H3/t22-,23+,24-,25+,26-/m1/s1
InChIKeyHOCIOBCSPGFJSG-UVIRKTLASA-N
MW538.87 g/mol
LogP6.44
Rot. Bonds11

About [(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol

[(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol (PubChem CID 11489560) has the molecular formula C28H50O6Si2 and a molecular weight of 538.87 g/mol. Its IUPAC name is [(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol
PubChem CID11489560
Molecular FormulaC28H50O6Si2
Molecular Weight538.87 g/mol
Exact Mass538.31
IUPAC Name[(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1CO
InChIInChI=1S/C28H50O6Si2/c1-12-22(34-36(10,11)28(5,6)7)25(20-31-35(8,9)27(2,3)4)32-24-19-30-26(33-23(24)18-29)21-16-14-13-15-17-21/h12-17,22-26,29H,1,18-20H2,2-11H3/t22-,23+,24-,25+,26-/m1/s1
InChIKeyHOCIOBCSPGFJSG-UVIRKTLASA-N
XLogP6.44
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.87
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-4-(2-methylprop-2-enyl)-2-phenyl-1,3-dioxan-5-yl]oxy]pent-4-enoxy]-dimethylsilane
CID 11261546
[(2R,4S,5R)-2-phenyl-5-triethylsilyloxy-1,3-dioxan-4-yl]methanol
CID 102054254
[(4S,5S)-4-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-(4-methoxyphenyl)-1,3-dioxan-5-yl]oxy-tert-butyl-dimethylsilane
CID 11685963
(6S,8R,8aR)-6,8-dimethyl-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol;(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one;(3R,4S,6S)-2-(hydroxymethyl)-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 123841784
(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
CID 571097
methyl (E)-4-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-1,3-dioxan-4-yl]but-2-enoate
CID 11811274
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
[(2R,4aS,6R,7S,8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 2,2-dimethylpropanoate
CID 102377692

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol (CID 11489560) is [(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CO[C@@H](c2ccccc2)O[C@H]1CO.
What is the InChIKey of [(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol?
The InChIKey is HOCIOBCSPGFJSG-UVIRKTLASA-N. The full InChI is InChI=1S/C28H50O6Si2/c1-12-22(34-36(10,11)28(5,6)7)25(20-31-35(8,9)27(2,3)4)32-24-19-30-26(33-23(24)18-29)21-16-14-13-15-17-21/h12-17,22-26,29H,1,18-20H2,2-11H3/t22-,23+,24-,25+,26-/m1/s1.
What are the key properties of [(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol?
[(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol has a molecular weight of 538.87 g/mol, XLogP of 6.44, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-5-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-en-2-yl]oxy-2-phenyl-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 11489560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).