(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

C16H32O5Si — CID 59361065

IUPAC(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
SMILESC=C[C@@H](O)C1OC(C)(C)O[C@H]1[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-9-11(17)13-14(21-16(5,6)20-13)12(18)10-19-22(7,8)15(2,3)4/h9,11-14,17-18H,1,10H2,2-8H3/t11-,12+,13?,14+/m1/s1
InChIKeyOIRTYODVMCLOPL-UDRMKVCMSA-N
MW332.51 g/mol
LogP2.44
Rot. Bonds6

About (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

(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 (PubChem CID 59361065) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID59361065
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(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
SMILESC=C[C@@H](O)C1OC(C)(C)O[C@H]1[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-9-11(17)13-14(21-16(5,6)20-13)12(18)10-19-22(7,8)15(2,3)4/h9,11-14,17-18H,1,10H2,2-8H3/t11-,12+,13?,14+/m1/s1
InChIKeyOIRTYODVMCLOPL-UDRMKVCMSA-N
XLogP2.44
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.44
H-Bond Donors ≤ 52
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

(1R)-1-[(4R,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11009419
(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
(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 46850136
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
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-ene-2,3-diol
CID 135019078
[(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
(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentane-1,4-diol
CID 11014236
(1R)-1-[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-3-en-1-ol
CID 11047426

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C[C@@H](O)C1OC(C)(C)O[C@H]1[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (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?
The InChIKey is OIRTYODVMCLOPL-UDRMKVCMSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-9-11(17)13-14(21-16(5,6)20-13)12(18)10-19-22(7,8)15(2,3)4/h9,11-14,17-18H,1,10H2,2-8H3/t11-,12+,13?,14+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 332.51 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 59361065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).