(Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol

C16H32O4Si — CID 10969134

IUPAC(Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C\CC(O)CO
InChIInChI=1S/C16H32O4Si/c1-16(2,3)21(4,5)20-15-10-7-11-19-14(15)9-6-8-13(18)12-17/h6,9,13-15,17-18H,7-8,10-12H2,1-5H3/b9-6-/t13?,14-,15+/m1/s1
InChIKeyZZFJTVGLYZWTAP-KUQULBJXSA-N
MW316.51 g/mol
LogP2.86
Rot. Bonds6

About (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol

(Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol (PubChem CID 10969134) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol.

Molecular Properties

Compound Name(Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol
PubChem CID10969134
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C\CC(O)CO
InChIInChI=1S/C16H32O4Si/c1-16(2,3)21(4,5)20-15-10-7-11-19-14(15)9-6-8-13(18)12-17/h6,9,13-15,17-18H,7-8,10-12H2,1-5H3/b9-6-/t13?,14-,15+/m1/s1
InChIKeyZZFJTVGLYZWTAP-KUQULBJXSA-N
XLogP2.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol with MolForge

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Related Compounds

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44397489
(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 10967661
(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
(Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44420199
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
(1S,2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 11288769
[(2R,3R,6Z,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(1Z)-2-methoxybuta-1,3-dienyl]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-2-yl]methanol
CID 49844818
(1S,2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 102377682
(4E)-4-[(2,2-ditert-butyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl)methylidene]-2-(hydroxymethyl)oxan-3-ol
CID 134864925
(S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 10687754
[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol
CID 11382298
(4aS,6S,7S,8Z,10aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,4a,6,7,10,10a-octahydropyrano[3,2-b]oxocin-7-ol
CID 12186177

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol?
The IUPAC name of (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol (CID 10969134) is (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol.
What is the SMILES notation for (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol?
The canonical SMILES for (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C\CC(O)CO.
What is the InChIKey of (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol?
The InChIKey is ZZFJTVGLYZWTAP-KUQULBJXSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-16(2,3)21(4,5)20-15-10-7-11-19-14(15)9-6-8-13(18)12-17/h6,9,13-15,17-18H,7-8,10-12H2,1-5H3/b9-6-/t13?,14-,15+/m1/s1.
What are the key properties of (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol?
(Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol has a molecular weight of 316.51 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol is sourced from PubChem (CID 10969134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).