tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate

C10H16O6 — CID 54096496

IUPACtert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate
SMILESC=CCOC1(OC(=O)OC(C)(C)C)COO1
InChIInChI=1S/C10H16O6/c1-5-6-12-10(7-13-16-10)15-8(11)14-9(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyMXMAUOHPZNSFPT-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.76
Rot. Bonds4

About tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate

tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate (PubChem CID 54096496) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate
PubChem CID54096496
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Nametert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate
SMILESC=CCOC1(OC(=O)OC(C)(C)C)COO1
InChIInChI=1S/C10H16O6/c1-5-6-12-10(7-13-16-10)15-8(11)14-9(2,3)4/h5H,1,6-7H2,2-4H3
InChIKeyMXMAUOHPZNSFPT-UHFFFAOYSA-N
XLogP1.76
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate?
The IUPAC name of tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate (CID 54096496) is tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate.
What is the SMILES notation for tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate?
The canonical SMILES for tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate is C=CCOC1(OC(=O)OC(C)(C)C)COO1.
What is the InChIKey of tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate?
The InChIKey is MXMAUOHPZNSFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-5-6-12-10(7-13-16-10)15-8(11)14-9(2,3)4/h5H,1,6-7H2,2-4H3.
What are the key properties of tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate?
tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate has a molecular weight of 232.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3-prop-2-enoxydioxetan-3-yl) carbonate is sourced from PubChem (CID 54096496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).