tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate

C19H38O4Si — CID 101350385

IUPACtert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate
SMILESC=C[C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-10-16(22-17(20)23-18(2,3)4)14-12-11-13-15-21-24(8,9)19(5,6)7/h10,16H,1,11-15H2,2-9H3/t16-/m0/s1
InChIKeyOCWXGIMFOQSLAF-INIZCTEOSA-N
MW358.60 g/mol
LogP6.07
Rot. Bonds9

About tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate

tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate (PubChem CID 101350385) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate
PubChem CID101350385
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Nametert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate
SMILESC=C[C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-10-16(22-17(20)23-18(2,3)4)14-12-11-13-15-21-24(8,9)19(5,6)7/h10,16H,1,11-15H2,2-9H3/t16-/m0/s1
InChIKeyOCWXGIMFOQSLAF-INIZCTEOSA-N
XLogP6.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate?
The IUPAC name of tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate (CID 101350385) is tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate.
What is the SMILES notation for tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate?
The canonical SMILES for tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate is C=C[C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate?
The InChIKey is OCWXGIMFOQSLAF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-10-16(22-17(20)23-18(2,3)4)14-12-11-13-15-21-24(8,9)19(5,6)7/h10,16H,1,11-15H2,2-9H3/t16-/m0/s1.
What are the key properties of tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate?
tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate has a molecular weight of 358.60 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate is sourced from PubChem (CID 101350385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).