(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol

C17H34O5Si — CID 11674629

IUPAC(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)OC
InChIInChI=1S/C17H34O5Si/c1-10-12-14(21-17(5,6)20-12)15(13(11-18)19-7)22-23(8,9)16(2,3)4/h10,12-15,18H,1,11H2,2-9H3/t12-,13+,14+,15+/m1/s1
InChIKeyRFRSVOPLXDNMSR-QPSCCSFWSA-N
MW346.54 g/mol
LogP3.09
Rot. Bonds7

About (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol (PubChem CID 11674629) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol
PubChem CID11674629
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Name(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)OC
InChIInChI=1S/C17H34O5Si/c1-10-12-14(21-17(5,6)20-12)15(13(11-18)19-7)22-23(8,9)16(2,3)4/h10,12-15,18H,1,11H2,2-9H3/t12-,13+,14+,15+/m1/s1
InChIKeyRFRSVOPLXDNMSR-QPSCCSFWSA-N
XLogP3.09
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(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
(2R,3R,5S)-5-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-4-methyloxan-2-yl]-2-ethenyloxolan-3-ol
CID 11268781
(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 46850136
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
5-(t-Butyldimethylsilanyloxymethyl)-2,2-dimethyl-4,6a-dihydro-3ah-cyclopenta[1,3]dioxol-4-ol
CID 129824909
1-[(4S,5S)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841869
1-[(4S,5R)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841998
1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 135024857
[(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
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hept-1-en-3-ol
CID 139252190
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
CID 139252209

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol?
The IUPAC name of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol (CID 11674629) is (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol?
The canonical SMILES for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol is C=C[C@H]1OC(C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)OC.
What is the InChIKey of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol?
The InChIKey is RFRSVOPLXDNMSR-QPSCCSFWSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-10-12-14(21-17(5,6)20-12)15(13(11-18)19-7)22-23(8,9)16(2,3)4/h10,12-15,18H,1,11H2,2-9H3/t12-,13+,14+,15+/m1/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol?
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol has a molecular weight of 346.54 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol is sourced from PubChem (CID 11674629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).