[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate

C14H26O4Si — CID 53231196

IUPAC[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate
SMILESC=C[C@@H](OC(=O)OC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-9-11(17-13(15)16-6)12(10-2)18-19(7,8)14(3,4)5/h9-12H,1-2H2,3-8H3/t11-,12-/m1/s1
InChIKeyOBGFJCCYRNQVGM-VXGBXAGGSA-N
MW286.44 g/mol
LogP3.90
Rot. Bonds6

About [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate

[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate (PubChem CID 53231196) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate.

Molecular Properties

Compound Name[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate
PubChem CID53231196
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate
SMILESC=C[C@@H](OC(=O)OC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-9-11(17-13(15)16-6)12(10-2)18-19(7,8)14(3,4)5/h9-12H,1-2H2,3-8H3/t11-,12-/m1/s1
InChIKeyOBGFJCCYRNQVGM-VXGBXAGGSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
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 [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate?
The IUPAC name of [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate (CID 53231196) is [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate.
What is the SMILES notation for [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate?
The canonical SMILES for [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate is C=C[C@@H](OC(=O)OC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate?
The InChIKey is OBGFJCCYRNQVGM-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-9-11(17-13(15)16-6)12(10-2)18-19(7,8)14(3,4)5/h9-12H,1-2H2,3-8H3/t11-,12-/m1/s1.
What are the key properties of [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate?
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate has a molecular weight of 286.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate is sourced from PubChem (CID 53231196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).