(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol

C15H30O6Si — CID 134852829

IUPAC(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol
SMILESC=CCO[C@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)C1O
InChIInChI=1S/C15H30O6Si/c1-7-8-19-14-13(18)12(17)11(16)10(21-14)9-20-22(5,6)15(2,3)4/h7,10-14,16-18H,1,8-9H2,2-6H3/t10?,11-,12?,13?,14+/m1/s1
InChIKeyRGFUGTHSXKWBIS-IAPOMNSZSA-N
MW334.49 g/mol
LogP1.02
Rot. Bonds6

About (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol

(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol (PubChem CID 134852829) has the molecular formula C15H30O6Si and a molecular weight of 334.49 g/mol. Its IUPAC name is (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol
PubChem CID134852829
Molecular FormulaC15H30O6Si
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol
SMILESC=CCO[C@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)C1O
InChIInChI=1S/C15H30O6Si/c1-7-8-19-14-13(18)12(17)11(16)10(21-14)9-20-22(5,6)15(2,3)4/h7,10-14,16-18H,1,8-9H2,2-6H3/t10?,11-,12?,13?,14+/m1/s1
InChIKeyRGFUGTHSXKWBIS-IAPOMNSZSA-N
XLogP1.02
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 51.02
H-Bond Donors ≤ 53
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

Allyl galactopyranoside
CID 151026
prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside
CID 124222715
(2R,3R,4S,5R,6R)-2-(Allyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 11020396
Allyl alpha-D-mannopyranoside
CID 11183597
Allyl-beta-D-glucopyranoside
CID 11736138
alpha-D-Glucopyranose, O-2-propenyl-
CID 10878666
2-(Hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 346062
Ally a-D-galactopyranoside
CID 2735272
(2S,3R,4R,5R,6R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 10878257
(2S,3S,4S,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 71719055
Allyl 3-deoxygalactopyranoside
CID 190820
(2R,3R,4S,5R,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 10968858

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol?
The IUPAC name of (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol (CID 134852829) is (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol.
What is the SMILES notation for (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol?
The canonical SMILES for (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol is C=CCO[C@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)C1O.
What is the InChIKey of (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol?
The InChIKey is RGFUGTHSXKWBIS-IAPOMNSZSA-N. The full InChI is InChI=1S/C15H30O6Si/c1-7-8-19-14-13(18)12(17)11(16)10(21-14)9-20-22(5,6)15(2,3)4/h7,10-14,16-18H,1,8-9H2,2-6H3/t10?,11-,12?,13?,14+/m1/s1.
What are the key properties of (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol?
(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol has a molecular weight of 334.49 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol is sourced from PubChem (CID 134852829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).