dicesium;oxidooxymethanone

CCs2O3 — CID 155660792

IUPACdicesium;oxidooxymethanone
SMILESO=[C-]O[O-].[Cs+].[Cs+]
InChIInChI=1S/CHO3.2Cs/c2-1-4-3;;/h3H;;/q-1;2*+1/p-1
InChIKeyKVLQVVRTEKEWNB-UHFFFAOYSA-M
MW325.82 g/mol
LogP-7.65
Rot. Bonds1

About dicesium;oxidooxymethanone

dicesium;oxidooxymethanone (PubChem CID 155660792) has the molecular formula CCs2O3 and a molecular weight of 325.82 g/mol. Its IUPAC name is dicesium;oxidooxymethanone.

Molecular Properties

Compound Namedicesium;oxidooxymethanone
PubChem CID155660792
Molecular FormulaCCs2O3
Molecular Weight325.82 g/mol
Exact Mass325.80
IUPAC Namedicesium;oxidooxymethanone
SMILESO=[C-]O[O-].[Cs+].[Cs+]
InChIInChI=1S/CHO3.2Cs/c2-1-4-3;;/h3H;;/q-1;2*+1/p-1
InChIKeyKVLQVVRTEKEWNB-UHFFFAOYSA-M
XLogP-7.65
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 5-7.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dialuminum;oxidooxymethanone
CID 173456904
octamagnesium;hydroperoxymethanone;oxidooxymethanone;oxomethanolate;hydroxide
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CID 170173463
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CID 59050704
oxomethoxymethanone;vanadium(2+)
CID 153429418
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CID 88744771
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CID 173013987
methoxymethanone;tungsten;hydrate
CID 58134243
carbanide;hydroperoxymethanone;tungsten(2+);yttrium
CID 59709076
dilithium;oxomethanolate;hydroxide
CID 153463878
zinc;ethane;methoxymethanone;hydroiodide
CID 88611807

Frequently Asked Questions

What is the IUPAC name of dicesium;oxidooxymethanone?
The IUPAC name of dicesium;oxidooxymethanone (CID 155660792) is dicesium;oxidooxymethanone.
What is the SMILES notation for dicesium;oxidooxymethanone?
The canonical SMILES for dicesium;oxidooxymethanone is O=[C-]O[O-].[Cs+].[Cs+].
What is the InChIKey of dicesium;oxidooxymethanone?
The InChIKey is KVLQVVRTEKEWNB-UHFFFAOYSA-M. The full InChI is InChI=1S/CHO3.2Cs/c2-1-4-3;;/h3H;;/q-1;2*+1/p-1.
What are the key properties of dicesium;oxidooxymethanone?
dicesium;oxidooxymethanone has a molecular weight of 325.82 g/mol, XLogP of -7.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;oxidooxymethanone is sourced from PubChem (CID 155660792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).