2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one

C19H16O6 — CID 10065831

IUPAC2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one
SMILESO=c1c2ccc(OCC3CO3)cc2oc2ccc(OCC3CO3)cc12
InChIInChI=1S/C19H16O6/c20-19-15-3-1-12(22-8-14-10-24-14)6-18(15)25-17-4-2-11(5-16(17)19)21-7-13-9-23-13/h1-6,13-14H,7-10H2
InChIKeyBPSZHSJEKCITDE-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.50
Rot. Bonds6

About 2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one

2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one (PubChem CID 10065831) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one.

Molecular Properties

Compound Name2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one
PubChem CID10065831
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one
SMILESO=c1c2ccc(OCC3CO3)cc2oc2ccc(OCC3CO3)cc12
InChIInChI=1S/C19H16O6/c20-19-15-3-1-12(22-8-14-10-24-14)6-18(15)25-17-4-2-11(5-16(17)19)21-7-13-9-23-13/h1-6,13-14H,7-10H2
InChIKeyBPSZHSJEKCITDE-UHFFFAOYSA-N
XLogP2.50
TPSA73.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,6-bis(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
CID 88920334
7-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 13005005
2,6-bis[2-(dimethylamino)ethoxy]xanthen-9-one
CID 57439560
3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198
2,6-bis(3-piperidin-1-ylpropoxy)xanthen-9-one
CID 57439571
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione
CID 174669701
2-ethoxyxanthen-9-one
CID 14150405
3,6-bis(2-methoxyethoxymethoxy)xanthen-9-one
CID 86228251
2,7-bis(6-aminohexoxy)xanthen-9-one
CID 71716712
2-(oxiran-2-ylmethoxy)-3-phenylchromen-4-one
CID 174682179
[5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol
CID 123472629

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one?
The IUPAC name of 2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one (CID 10065831) is 2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one.
What is the SMILES notation for 2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one?
The canonical SMILES for 2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one is O=c1c2ccc(OCC3CO3)cc2oc2ccc(OCC3CO3)cc12.
What is the InChIKey of 2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one?
The InChIKey is BPSZHSJEKCITDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c20-19-15-3-1-12(22-8-14-10-24-14)6-18(15)25-17-4-2-11(5-16(17)19)21-7-13-9-23-13/h1-6,13-14H,7-10H2.
What are the key properties of 2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one?
2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one has a molecular weight of 340.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(oxiran-2-ylmethoxy)xanthen-9-one is sourced from PubChem (CID 10065831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).