(2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol

C15H32O5Si — CID 11034571

IUPAC(2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol
SMILESC=C[C@@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C15H32O5Si/c1-8-14(19-11-18-5)12(13(17)9-16)10-20-21(6,7)15(2,3)4/h8,12-14,16-17H,1,9-11H2,2-7H3/t12-,13+,14+/m0/s1
InChIKeyGBMHMIOHPNJQIH-BFHYXJOUSA-N
MW320.50 g/mol
LogP2.15
Rot. Bonds10

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

(2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol (PubChem CID 11034571) has the molecular formula C15H32O5Si and a molecular weight of 320.50 g/mol. Its IUPAC name is (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol.

Molecular Properties

Compound Name(2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol
PubChem CID11034571
Molecular FormulaC15H32O5Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Name(2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol
SMILESC=C[C@@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C15H32O5Si/c1-8-14(19-11-18-5)12(13(17)9-16)10-20-21(6,7)15(2,3)4/h8,12-14,16-17H,1,9-11H2,2-7H3/t12-,13+,14+/m0/s1
InChIKeyGBMHMIOHPNJQIH-BFHYXJOUSA-N
XLogP2.15
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.15
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
tert-butyl-[(2R,3R)-3-(methoxymethoxy)-2-[(2S)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane
CID 11141190
[(2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-4-(methoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate
CID 11732217
(4R,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol
CID 11825549
(2R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol
CID 57438882
(4R,5R,6S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(methoxymethoxy)-1-trimethylsilyloct-7-en-1-yn-4-ol
CID 57438883
tert-butyl-[(2R,3S)-3-(methoxymethoxy)-2-[(2R)-oxiran-2-yl]pent-4-enoxy]-dimethylsilane
CID 87487976
(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol
CID 164606419
(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol
CID 10756934
(2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol
CID 10828375
(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol
CID 11709271
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol
CID 11784470

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol?
The IUPAC name of (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol (CID 11034571) is (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol.
What is the SMILES notation for (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol?
The canonical SMILES for (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol is C=C[C@@H](OCOC)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CO.
What is the InChIKey of (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol?
The InChIKey is GBMHMIOHPNJQIH-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H32O5Si/c1-8-14(19-11-18-5)12(13(17)9-16)10-20-21(6,7)15(2,3)4/h8,12-14,16-17H,1,9-11H2,2-7H3/t12-,13+,14+/m0/s1.
What are the key properties of (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol?
(2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol has a molecular weight of 320.50 g/mol, XLogP of 2.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol is sourced from PubChem (CID 11034571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).