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

C15H28O4Si — CID 53231197

IUPAC[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
SMILESC=C[C@@H](OC(=O)OCC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-9-12(18-14(16)17-11-3)13(10-2)19-20(7,8)15(4,5)6/h9-10,12-13H,1-2,11H2,3-8H3/t12-,13-/m1/s1
InChIKeyBAYZIWKJDHDBHP-CHWSQXEVSA-N
MW300.47 g/mol
LogP4.29
Rot. Bonds7

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

[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate (PubChem CID 53231197) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
PubChem CID53231197
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
SMILESC=C[C@@H](OC(=O)OCC)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O4Si/c1-9-12(18-14(16)17-11-3)13(10-2)19-20(7,8)15(4,5)6/h9-10,12-13H,1-2,11H2,3-8H3/t12-,13-/m1/s1
InChIKeyBAYZIWKJDHDBHP-CHWSQXEVSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.29
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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Related Compounds

ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
ethyl (Z,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-6,6-dimethylhept-4-enoate
CID 101498298
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enoate
CID 11601855
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
but-3-en-2-yl ethyl carbonate
CID 11137281
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
trans-ethyl (1R,2R)-2-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(ethoxymethoxy)but-3-enyl]cyclopropane-1-carboxylate
CID 102340540

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate?
The IUPAC name of [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate (CID 53231197) is [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate.
What is the SMILES notation for [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate?
The canonical SMILES for [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate is C=C[C@@H](OC(=O)OCC)[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] ethyl carbonate?
The InChIKey is BAYZIWKJDHDBHP-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-9-12(18-14(16)17-11-3)13(10-2)19-20(7,8)15(4,5)6/h9-10,12-13H,1-2,11H2,3-8H3/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate?
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate has a molecular weight of 300.47 g/mol, XLogP of 4.29, 7 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] ethyl carbonate is sourced from PubChem (CID 53231197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).