(Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol

C19H42O5Si2 — CID 10740131

IUPAC(Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](/C=C\C[C@H](O)CO)OCOCC[Si](C)(C)C
InChIInChI=1S/C19H42O5Si2/c1-19(2,3)26(7,8)24-15-18(11-9-10-17(21)14-20)23-16-22-12-13-25(4,5)6/h9,11,17-18,20-21H,10,12-16H2,1-8H3/b11-9-/t17-,18-/m0/s1
InChIKeyUNBXRALBFQRWDT-QOVPWNHXSA-N
MW406.71 g/mol
LogP4.01
Rot. Bonds13

About (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol

(Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol (PubChem CID 10740131) has the molecular formula C19H42O5Si2 and a molecular weight of 406.71 g/mol. Its IUPAC name is (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol.

Molecular Properties

Compound Name(Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol
PubChem CID10740131
Molecular FormulaC19H42O5Si2
Molecular Weight406.71 g/mol
Exact Mass406.26
IUPAC Name(Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](/C=C\C[C@H](O)CO)OCOCC[Si](C)(C)C
InChIInChI=1S/C19H42O5Si2/c1-19(2,3)26(7,8)24-15-18(11-9-10-17(21)14-20)23-16-22-12-13-25(4,5)6/h9,11,17-18,20-21H,10,12-16H2,1-8H3/b11-9-/t17-,18-/m0/s1
InChIKeyUNBXRALBFQRWDT-QOVPWNHXSA-N
XLogP4.01
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.71
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol?
The IUPAC name of (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol (CID 10740131) is (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol.
What is the SMILES notation for (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol?
The canonical SMILES for (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol is CC(C)(C)[Si](C)(C)OC[C@H](/C=C\C[C@H](O)CO)OCOCC[Si](C)(C)C.
What is the InChIKey of (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol?
The InChIKey is UNBXRALBFQRWDT-QOVPWNHXSA-N. The full InChI is InChI=1S/C19H42O5Si2/c1-19(2,3)26(7,8)24-15-18(11-9-10-17(21)14-20)23-16-22-12-13-25(4,5)6/h9,11,17-18,20-21H,10,12-16H2,1-8H3/b11-9-/t17-,18-/m0/s1.
What are the key properties of (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol?
(Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol has a molecular weight of 406.71 g/mol, XLogP of 4.01, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)hept-4-ene-1,2-diol is sourced from PubChem (CID 10740131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).