(Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol

C29H50O6Si — CID 11226216

IUPAC(Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol
SMILESC[C@H](CCCC(O)/C=C\C(O)C1C[C@H](COCc2ccccc2)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H50O6Si/c1-22(35-36(7,8)28(2,3)4)13-12-16-24(30)17-18-26(31)27-19-25(33-29(5,6)34-27)21-32-20-23-14-10-9-11-15-23/h9-11,14-15,17-18,22,24-27,30-31H,12-13,16,19-21H2,1-8H3/b18-17-/t22-,24?,25-,26?,27?/m1/s1
InChIKeyUCYANRKZDHJAOD-RGEOIPQMSA-N
MW522.80 g/mol
LogP5.97
Rot. Bonds13

About (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol

(Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol (PubChem CID 11226216) has the molecular formula C29H50O6Si and a molecular weight of 522.80 g/mol. Its IUPAC name is (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol
PubChem CID11226216
Molecular FormulaC29H50O6Si
Molecular Weight522.80 g/mol
Exact Mass522.34
IUPAC Name(Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol
SMILESC[C@H](CCCC(O)/C=C\C(O)C1C[C@H](COCc2ccccc2)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H50O6Si/c1-22(35-36(7,8)28(2,3)4)13-12-16-24(30)17-18-26(31)27-19-25(33-29(5,6)34-27)21-32-20-23-14-10-9-11-15-23/h9-11,14-15,17-18,22,24-27,30-31H,12-13,16,19-21H2,1-8H3/b18-17-/t22-,24?,25-,26?,27?/m1/s1
InChIKeyUCYANRKZDHJAOD-RGEOIPQMSA-N
XLogP5.97
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.80
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol with MolForge

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Related Compounds

N-[2-[(4R,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethylidene]hydroxylamine
CID 134970408
(4S,6R)-2,2-dimethyl-4-[(1R)-1-[(2R)-oxiran-2-yl]prop-2-enyl]-6-(phenylmethoxymethyl)-1,3-dioxane
CID 101488085
2-[(4S,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethanol
CID 25058663
(6R)-6-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentan-2-yl]-2,2-dimethyl-1,3-dioxane-4-carbonitrile
CID 11155091
[(2R,3S)-3-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutyl]-2-methyloxiran-2-yl]methanol
CID 11825080
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
tert-butyl-[(2R,6E,8E)-9-[(4R,6R)-6-[(1S)-3-iodo-1-phenylmethoxyprop-2-ynyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane
CID 134853562
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
CID 11382951
(S)-[2-[[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-1,3-dithian-2-yl]-[(4R,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol
CID 134970302
(E)-3-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]prop-2-en-1-ol
CID 134972307
tert-butyl-dimethyl-[(2R)-4-[(2S,3R)-2-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]but-3-yn-2-yl]oxysilane
CID 15019528
(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 71475919

Frequently Asked Questions

What is the IUPAC name of (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol?
The IUPAC name of (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol (CID 11226216) is (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol.
What is the SMILES notation for (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol?
The canonical SMILES for (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol is C[C@H](CCCC(O)/C=C\C(O)C1C[C@H](COCc2ccccc2)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol?
The InChIKey is UCYANRKZDHJAOD-RGEOIPQMSA-N. The full InChI is InChI=1S/C29H50O6Si/c1-22(35-36(7,8)28(2,3)4)13-12-16-24(30)17-18-26(31)27-19-25(33-29(5,6)34-27)21-32-20-23-14-10-9-11-15-23/h9-11,14-15,17-18,22,24-27,30-31H,12-13,16,19-21H2,1-8H3/b18-17-/t22-,24?,25-,26?,27?/m1/s1.
What are the key properties of (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol?
(Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol has a molecular weight of 522.80 g/mol, XLogP of 5.97, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,8R)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]non-2-ene-1,4-diol is sourced from PubChem (CID 11226216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).