tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate

C21H42O4Si — CID 10834061

IUPACtert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate
SMILESCC/C=C\[C@H](C)[C@@H](OC(=O)OC(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O4Si/c1-12-13-14-16(2)18(24-19(22)25-20(4,5)6)17(3)15-23-26(10,11)21(7,8)9/h13-14,16-18H,12,15H2,1-11H3/b14-13-/t16-,17+,18+/m0/s1
InChIKeyUZFJBPYAALGLBC-RXMKWERKSA-N
MW386.65 g/mol
LogP6.57
Rot. Bonds8

About tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate

tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate (PubChem CID 10834061) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate
PubChem CID10834061
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Nametert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate
SMILESCC/C=C\[C@H](C)[C@@H](OC(=O)OC(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O4Si/c1-12-13-14-16(2)18(24-19(22)25-20(4,5)6)17(3)15-23-26(10,11)21(7,8)9/h13-14,16-18H,12,15H2,1-11H3/b14-13-/t16-,17+,18+/m0/s1
InChIKeyUZFJBPYAALGLBC-RXMKWERKSA-N
XLogP6.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 56.57
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'}

Analyze tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate with MolForge

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Related Compounds

tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate
CID 11717171
ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate
CID 25112093
tert-butyl-[(Z,2S,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane
CID 46934166
tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane
CID 154718521
tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane
CID 58346375
[(E,3R)-7-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-methylhept-5-enyl] 2,2-dimethylpropanoate
CID 10390002
tert-butyl-[(E,2S,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane
CID 101800850

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate?
The IUPAC name of tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate (CID 10834061) is tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate.
What is the SMILES notation for tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate?
The canonical SMILES for tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate is CC/C=C\[C@H](C)[C@@H](OC(=O)OC(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate?
The InChIKey is UZFJBPYAALGLBC-RXMKWERKSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-12-13-14-16(2)18(24-19(22)25-20(4,5)6)17(3)15-23-26(10,11)21(7,8)9/h13-14,16-18H,12,15H2,1-11H3/b14-13-/t16-,17+,18+/m0/s1.
What are the key properties of tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate?
tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate has a molecular weight of 386.65 g/mol, XLogP of 6.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate is sourced from PubChem (CID 10834061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).