[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane

C33H72O6Si4 — CID 10794631

IUPAC[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H72O6Si4/c1-22-23-34-29-28(39-43(20,21)33(11,12)13)27(38-42(18,19)32(8,9)10)26(37-41(16,17)31(5,6)7)25(36-29)24-35-40(14,15)30(2,3)4/h22,25-29H,1,23-24H2,2-21H3/t25-,26-,27+,28-,29-/m1/s1
InChIKeyQTLHYKCZXLPLSK-XYPQWYOHSA-N
MW677.28 g/mol
LogP10.11
Rot. Bonds12

About [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10794631) has the molecular formula C33H72O6Si4 and a molecular weight of 677.28 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10794631
Molecular FormulaC33H72O6Si4
Molecular Weight677.28 g/mol
Exact Mass676.44
IUPAC Name[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H72O6Si4/c1-22-23-34-29-28(39-43(20,21)33(11,12)13)27(38-42(18,19)32(8,9)10)26(37-41(16,17)31(5,6)7)25(36-29)24-35-40(14,15)30(2,3)4/h22,25-29H,1,23-24H2,2-21H3/t25-,26-,27+,28-,29-/m1/s1
InChIKeyQTLHYKCZXLPLSK-XYPQWYOHSA-N
XLogP10.11
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.28
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

(2S,3R,4S,5S,6R)-2-ethoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 69026792
TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]Glc4F(a)-O-allyl
CID 140966535
[(3aR,6R,7S,7aR)-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 10991555
[(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 25136403
[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
CID 134835383
(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol
CID 134852829
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate
CID 134867143
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
CID 134867144
[(2S,3S,4R,5S,6S,8R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-ethenyl-1,7-dioxaspiro[5.5]undecan-5-yl]oxy-tert-butyl-dimethylsilane
CID 134962518
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
CID 135079920
allyl(-2)[allyl(-3)][allyl(-4)][TBDMS(-6)]Glc-O-iPr
CID 146018811
Lithium [3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 164677549

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 10794631) is [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane is C=CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QTLHYKCZXLPLSK-XYPQWYOHSA-N. The full InChI is InChI=1S/C33H72O6Si4/c1-22-23-34-29-28(39-43(20,21)33(11,12)13)27(38-42(18,19)32(8,9)10)26(37-41(16,17)31(5,6)7)25(36-29)24-35-40(14,15)30(2,3)4/h22,25-29H,1,23-24H2,2-21H3/t25-,26-,27+,28-,29-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 677.28 g/mol, XLogP of 10.11, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10794631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).