(Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol

C13H28O4Si — CID 154585840

IUPAC(Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)/C=C\[C@](C)(O)CO
InChIInChI=1S/C13H28O4Si/c1-12(2,3)18(5,6)17-9-11(15)7-8-13(4,16)10-14/h7-8,11,14-16H,9-10H2,1-6H3/b8-7-/t11-,13-/m0/s1
InChIKeyQEGFVODTXVWECD-BYOMZUQQSA-N
MW276.45 g/mol
LogP1.67
Rot. Bonds6

About (Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol

(Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol (PubChem CID 154585840) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is (Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol.

Molecular Properties

Compound Name(Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol
PubChem CID154585840
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name(Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)/C=C\[C@](C)(O)CO
InChIInChI=1S/C13H28O4Si/c1-12(2,3)18(5,6)17-9-11(15)7-8-13(4,16)10-14/h7-8,11,14-16H,9-10H2,1-6H3/b8-7-/t11-,13-/m0/s1
InChIKeyQEGFVODTXVWECD-BYOMZUQQSA-N
XLogP1.67
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol?
The IUPAC name of (Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol (CID 154585840) is (Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol.
What is the SMILES notation for (Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol?
The canonical SMILES for (Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol is CC(C)(C)[Si](C)(C)OC[C@@H](O)/C=C\[C@](C)(O)CO.
What is the InChIKey of (Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol?
The InChIKey is QEGFVODTXVWECD-BYOMZUQQSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-12(2,3)18(5,6)17-9-11(15)7-8-13(4,16)10-14/h7-8,11,14-16H,9-10H2,1-6H3/b8-7-/t11-,13-/m0/s1.
What are the key properties of (Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol?
(Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol has a molecular weight of 276.45 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,5S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-ene-1,2,5-triol is sourced from PubChem (CID 154585840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).