tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate

C19H30O6 — CID 146167777

IUPACtert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate
SMILESC=C[C@@H]1O[C@H]1CC[C@@H]1O[C@H]1CC[C@]1(C)O[C@H]1COC(=O)OC(C)(C)C
InChIInChI=1S/C19H30O6/c1-6-12-13(22-12)7-8-14-15(23-14)9-10-19(5)16(24-19)11-21-17(20)25-18(2,3)4/h6,12-16H,1,7-11H2,2-5H3/t12-,13-,14-,15-,16-,19-/m0/s1
InChIKeyRVJOFIAZKUPCGV-GGDDPFQJSA-N
MW354.44 g/mol
LogP3.38
Rot. Bonds9

About tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate

tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate (PubChem CID 146167777) has the molecular formula C19H30O6 and a molecular weight of 354.44 g/mol. Its IUPAC name is tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate.

Molecular Properties

Compound Nametert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate
PubChem CID146167777
Molecular FormulaC19H30O6
Molecular Weight354.44 g/mol
Exact Mass354.20
IUPAC Nametert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate
SMILESC=C[C@@H]1O[C@H]1CC[C@@H]1O[C@H]1CC[C@]1(C)O[C@H]1COC(=O)OC(C)(C)C
InChIInChI=1S/C19H30O6/c1-6-12-13(22-12)7-8-14-15(23-14)9-10-19(5)16(24-19)11-21-17(20)25-18(2,3)4/h6,12-16H,1,7-11H2,2-5H3/t12-,13-,14-,15-,16-,19-/m0/s1
InChIKeyRVJOFIAZKUPCGV-GGDDPFQJSA-N
XLogP3.38
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate?
The IUPAC name of tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate (CID 146167777) is tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate.
What is the SMILES notation for tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate?
The canonical SMILES for tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate is C=C[C@@H]1O[C@H]1CC[C@@H]1O[C@H]1CC[C@]1(C)O[C@H]1COC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate?
The InChIKey is RVJOFIAZKUPCGV-GGDDPFQJSA-N. The full InChI is InChI=1S/C19H30O6/c1-6-12-13(22-12)7-8-14-15(23-14)9-10-19(5)16(24-19)11-21-17(20)25-18(2,3)4/h6,12-16H,1,7-11H2,2-5H3/t12-,13-,14-,15-,16-,19-/m0/s1.
What are the key properties of tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate?
tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate has a molecular weight of 354.44 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2S,3S)-3-[2-[(2S,3S)-3-[2-[(2S,3S)-3-ethenyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methyl carbonate is sourced from PubChem (CID 146167777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).