(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol

C19H40O5Si2 — CID 102156325

IUPAC(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol
SMILESC=C1O[C@@H]([C@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-13-15(23-25(8,9)18(2,3)4)17(16(22-13)14(21)12-20)24-26(10,11)19(5,6)7/h14-17,20-21H,1,12H2,2-11H3/t14-,15+,16+,17-/m1/s1
InChIKeyDJJCAMJKQGJLCR-LTIDMASMSA-N
MW404.70 g/mol
LogP4.03
Rot. Bonds6

About (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol (PubChem CID 102156325) has the molecular formula C19H40O5Si2 and a molecular weight of 404.70 g/mol. Its IUPAC name is (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol
PubChem CID102156325
Molecular FormulaC19H40O5Si2
Molecular Weight404.70 g/mol
Exact Mass404.24
IUPAC Name(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol
SMILESC=C1O[C@@H]([C@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-13-15(23-25(8,9)18(2,3)4)17(16(22-13)14(21)12-20)24-26(10,11)19(5,6)7/h14-17,20-21H,1,12H2,2-11H3/t14-,15+,16+,17-/m1/s1
InChIKeyDJJCAMJKQGJLCR-LTIDMASMSA-N
XLogP4.03
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.70
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6aR,8S,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 101471318
(6aR,8S)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 134830804
triethyl-[[(2R)-5-methylidene-3,4-bis(triethylsilyloxy)oxolan-2-yl]methoxy]silane
CID 135033093
[(2R,4S,5S)-4-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]oxy-5-prop-2-enyloxolan-2-yl]methanol
CID 138963627
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-ene-1,2-diol
CID 12019916
(4R,5S)-1-{4-[2-(tert-Butyldimethylsilyloxy)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-5-yl}-(S)-prop-2-en-1-ol
CID 12116174
(1R)-1-[(5S)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 59361065
(1R)-1-[(5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 68179720
(1R)-1-[5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 68186483
1-[(4S,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 68601971
(1S)-1-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 68601975

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol (CID 102156325) is (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol is C=C1O[C@@H]([C@H](O)CO)[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 (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol?
The InChIKey is DJJCAMJKQGJLCR-LTIDMASMSA-N. The full InChI is InChI=1S/C19H40O5Si2/c1-13-15(23-25(8,9)18(2,3)4)17(16(22-13)14(21)12-20)24-26(10,11)19(5,6)7/h14-17,20-21H,1,12H2,2-11H3/t14-,15+,16+,17-/m1/s1.
What are the key properties of (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol has a molecular weight of 404.70 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 102156325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).