tert-butylperoxy 2-prop-2-enoxyethyl carbonate

C10H18O6 — CID 54119211

IUPACtert-butylperoxy 2-prop-2-enoxyethyl carbonate
SMILESC=CCOCCOC(=O)OOOC(C)(C)C
InChIInChI=1S/C10H18O6/c1-5-6-12-7-8-13-9(11)14-16-15-10(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyNMLHWXDTYBAFOQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.00
Rot. Bonds7

About tert-butylperoxy 2-prop-2-enoxyethyl carbonate

tert-butylperoxy 2-prop-2-enoxyethyl carbonate (PubChem CID 54119211) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is tert-butylperoxy 2-prop-2-enoxyethyl carbonate.

Molecular Properties

Compound Nametert-butylperoxy 2-prop-2-enoxyethyl carbonate
PubChem CID54119211
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Nametert-butylperoxy 2-prop-2-enoxyethyl carbonate
SMILESC=CCOCCOC(=O)OOOC(C)(C)C
InChIInChI=1S/C10H18O6/c1-5-6-12-7-8-13-9(11)14-16-15-10(2,3)4/h5H,1,6-8H2,2-4H3
InChIKeyNMLHWXDTYBAFOQ-UHFFFAOYSA-N
XLogP2.00
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butylperoxy 2-prop-2-enoxyethyl carbonate?
The IUPAC name of tert-butylperoxy 2-prop-2-enoxyethyl carbonate (CID 54119211) is tert-butylperoxy 2-prop-2-enoxyethyl carbonate.
What is the SMILES notation for tert-butylperoxy 2-prop-2-enoxyethyl carbonate?
The canonical SMILES for tert-butylperoxy 2-prop-2-enoxyethyl carbonate is C=CCOCCOC(=O)OOOC(C)(C)C.
What is the InChIKey of tert-butylperoxy 2-prop-2-enoxyethyl carbonate?
The InChIKey is NMLHWXDTYBAFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-5-6-12-7-8-13-9(11)14-16-15-10(2,3)4/h5H,1,6-8H2,2-4H3.
What are the key properties of tert-butylperoxy 2-prop-2-enoxyethyl carbonate?
tert-butylperoxy 2-prop-2-enoxyethyl carbonate has a molecular weight of 234.25 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylperoxy 2-prop-2-enoxyethyl carbonate is sourced from PubChem (CID 54119211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).