benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol

C18H20O6 — CID 174908921

IUPACbenzoyl benzenecarboperoxoate;1-methoxypropan-2-ol
SMILESCOCC(C)O.O=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4.C4H10O2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-4(5)3-6-2/h1-10H;4-5H,3H2,1-2H3
InChIKeyRTHWVYGLOAERAL-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.63
Rot. Bonds4

About benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol

benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol (PubChem CID 174908921) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol.

Molecular Properties

Compound Namebenzoyl benzenecarboperoxoate;1-methoxypropan-2-ol
PubChem CID174908921
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Namebenzoyl benzenecarboperoxoate;1-methoxypropan-2-ol
SMILESCOCC(C)O.O=C(OOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10O4.C4H10O2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-4(5)3-6-2/h1-10H;4-5H,3H2,1-2H3
InChIKeyRTHWVYGLOAERAL-UHFFFAOYSA-N
XLogP2.63
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol?
The IUPAC name of benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol (CID 174908921) is benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol.
What is the SMILES notation for benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol?
The canonical SMILES for benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol is COCC(C)O.O=C(OOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol?
The InChIKey is RTHWVYGLOAERAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4.C4H10O2/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-4(5)3-6-2/h1-10H;4-5H,3H2,1-2H3.
What are the key properties of benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol?
benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol has a molecular weight of 332.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl benzenecarboperoxoate;1-methoxypropan-2-ol is sourced from PubChem (CID 174908921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).