(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol

C18H40O5Si — CID 135016309

IUPAC(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol
SMILESCCCC[C@H](C)[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C18H40O5Si/c1-9-10-11-14(2)16(22-13-21-6)17(15(20)12-19)23-24(7,8)18(3,4)5/h14-17,19-20H,9-13H2,1-8H3/t14-,15+,16+,17+/m0/s1
InChIKeyHOQLBPNMFOZIHD-YLFCFFPRSA-N
MW364.60 g/mol
LogP3.55
Rot. Bonds12

About (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol

(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol (PubChem CID 135016309) has the molecular formula C18H40O5Si and a molecular weight of 364.60 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol
PubChem CID135016309
Molecular FormulaC18H40O5Si
Molecular Weight364.60 g/mol
Exact Mass364.26
IUPAC Name(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol
SMILESCCCC[C@H](C)[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C18H40O5Si/c1-9-10-11-14(2)16(22-13-21-6)17(15(20)12-19)23-24(7,8)18(3,4)5/h14-17,19-20H,9-13H2,1-8H3/t14-,15+,16+,17+/m0/s1
InChIKeyHOQLBPNMFOZIHD-YLFCFFPRSA-N
XLogP3.55
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.60
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol
CID 10961103
(4S,5R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 25022950
(1R)-1-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 44515761
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol
CID 57326346
(2R,3R,4R,5S)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 101369899
(2R,3S,4S,5S)-2-(2-methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 101369906
(5s,7s,9r)-9,13,13,14,14-Pentamethyl-5-propyl-2,4,12-trioxa-13-silapentadecan-7-ol
CID 129747827
(2R,3R,4R,6R)-6-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-ethyl-3-(methoxymethoxy)-4-methylheptan-1-ol
CID 135012009
(3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol
CID 135015254
tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-[(2R)-oxiran-2-yl]heptoxy]-dimethylsilane
CID 135016310
tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-(oxiran-2-yl)heptoxy]-dimethylsilane
CID 135016312
2-(2-Methoxyethoxymethoxy)-3,5-dimethyl-1-tri(propan-2-yl)silyloxyoct-6-yn-4-ol
CID 135020680

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol?
The IUPAC name of (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol (CID 135016309) is (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol.
What is the SMILES notation for (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol?
The canonical SMILES for (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol is CCCC[C@H](C)[C@@H](OCOC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol?
The InChIKey is HOQLBPNMFOZIHD-YLFCFFPRSA-N. The full InChI is InChI=1S/C18H40O5Si/c1-9-10-11-14(2)16(22-13-21-6)17(15(20)12-19)23-24(7,8)18(3,4)5/h14-17,19-20H,9-13H2,1-8H3/t14-,15+,16+,17+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol?
(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol has a molecular weight of 364.60 g/mol, XLogP of 3.55, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol is sourced from PubChem (CID 135016309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).