5-phenyltetraoxolane

C7H6O4 — CID 102034769

IUPAC5-phenyltetraoxolane
SMILESc1ccc(C2OOOO2)cc1
InChIInChI=1S/C7H6O4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5,7H
InChIKeyYBFXHPBDPYVGOE-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.51
Rot. Bonds1

About 5-phenyltetraoxolane

5-phenyltetraoxolane (PubChem CID 102034769) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 5-phenyltetraoxolane.

Molecular Properties

Compound Name5-phenyltetraoxolane
PubChem CID102034769
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name5-phenyltetraoxolane
SMILESc1ccc(C2OOOO2)cc1
InChIInChI=1S/C7H6O4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5,7H
InChIKeyYBFXHPBDPYVGOE-UHFFFAOYSA-N
XLogP1.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3,4-diphenyldioxetane
CID 71394517
4-phenyl-1,3,2-dioxathietane
CID 141391281
diphenyliodanium;hydroiodide
CID 54604341
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
3-phenyl-1,2,4,5-tetraoxaspiro[5.5]undecane
CID 10847398
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
9-methyl-3-phenyl-1,2,4,5-tetraoxaspiro[5.5]undecane
CID 11161025
2-phenyl-1,3-dioxonane
CID 70602118
2,5-diphenyl-1,3-dioxane-4,6-dione
CID 10683306
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277

Frequently Asked Questions

What is the IUPAC name of 5-phenyltetraoxolane?
The IUPAC name of 5-phenyltetraoxolane (CID 102034769) is 5-phenyltetraoxolane.
What is the SMILES notation for 5-phenyltetraoxolane?
The canonical SMILES for 5-phenyltetraoxolane is c1ccc(C2OOOO2)cc1.
What is the InChIKey of 5-phenyltetraoxolane?
The InChIKey is YBFXHPBDPYVGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c1-2-4-6(5-3-1)7-8-10-11-9-7/h1-5,7H.
What are the key properties of 5-phenyltetraoxolane?
5-phenyltetraoxolane has a molecular weight of 154.12 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyltetraoxolane is sourced from PubChem (CID 102034769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).