(2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol

C25H52O5Si2 — CID 11733670

IUPAC(2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol
SMILESC=C1O[C@H](OC)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H52O5Si2/c1-15(2)31(16(3)4,17(5)6)29-23-21(13)28-25(27-14)24(22(23)26)30-32(18(7)8,19(9)10)20(11)12/h15-20,22-26H,13H2,1-12,14H3/t22-,23+,24+,25-/m0/s1
InChIKeyVONMCERHSPPWDZ-LIONHTAISA-N
MW488.86 g/mol
LogP6.99
Rot. Bonds11

About (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol

(2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol (PubChem CID 11733670) has the molecular formula C25H52O5Si2 and a molecular weight of 488.86 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol
PubChem CID11733670
Molecular FormulaC25H52O5Si2
Molecular Weight488.86 g/mol
Exact Mass488.34
IUPAC Name(2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol
SMILESC=C1O[C@H](OC)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H52O5Si2/c1-15(2)31(16(3)4,17(5)6)29-23-21(13)28-25(27-14)24(22(23)26)30-32(18(7)8,19(9)10)20(11)12/h15-20,22-26H,13H2,1-12,14H3/t22-,23+,24+,25-/m0/s1
InChIKeyVONMCERHSPPWDZ-LIONHTAISA-N
XLogP6.99
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.86
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol with MolForge

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Related Compounds

(2S)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
CID 10970397
(2R)-1-[(2S,3R)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxypent-4-en-2-ol
CID 11024767
(E,1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-en-1-ol
CID 11100828
[(2S,3S,4S,5S)-2-methoxy-6-methylidene-3,5-bis(trimethylsilyloxy)oxan-4-yl]oxy-trimethylsilane
CID 11269385
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol
CID 67842017
(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 89657965
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3,4-dihydro-2H-pyran-3-yl]oxy]oxane-3,4,5-triol
CID 4550889
(2S,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3-yl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-ol
CID 10909112
(3R)-1-[(2R,3S)-3-tri(propan-2-yl)silyloxyoxan-2-yl]oxyhex-5-en-3-ol
CID 10926826
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-en-1-ol
CID 10982949
(1S)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol
CID 11079344
(1R)-1-[(2R,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-en-1-ol
CID 11111598

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol?
The IUPAC name of (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol (CID 11733670) is (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol.
What is the SMILES notation for (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol?
The canonical SMILES for (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol is C=C1O[C@H](OC)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol?
The InChIKey is VONMCERHSPPWDZ-LIONHTAISA-N. The full InChI is InChI=1S/C25H52O5Si2/c1-15(2)31(16(3)4,17(5)6)29-23-21(13)28-25(27-14)24(22(23)26)30-32(18(7)8,19(9)10)20(11)12/h15-20,22-26H,13H2,1-12,14H3/t22-,23+,24+,25-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol?
(2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol has a molecular weight of 488.86 g/mol, XLogP of 6.99, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-methoxy-6-methylidene-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-ol is sourced from PubChem (CID 11733670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).