cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate

C11H15CsO5 — CID 166445390

IUPACcesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate
SMILESC=C(C)CC1(OC(=O)C(=O)[O-])CCOCC1.[Cs+]
InChIInChI=1S/C11H16O5.Cs/c1-8(2)7-11(3-5-15-6-4-11)16-10(14)9(12)13;/h1,3-7H2,2H3,(H,12,13);/q;+1/p-1
InChIKeyYSCFHPGVNSSGMM-UHFFFAOYSA-M
MW360.14 g/mol
LogP-3.20
Rot. Bonds3

About cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate

cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate (PubChem CID 166445390) has the molecular formula C11H15CsO5 and a molecular weight of 360.14 g/mol. Its IUPAC name is cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate.

Molecular Properties

Compound Namecesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate
PubChem CID166445390
Molecular FormulaC11H15CsO5
Molecular Weight360.14 g/mol
Exact Mass360.00
IUPAC Namecesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate
SMILESC=C(C)CC1(OC(=O)C(=O)[O-])CCOCC1.[Cs+]
InChIInChI=1S/C11H16O5.Cs/c1-8(2)7-11(3-5-15-6-4-11)16-10(14)9(12)13;/h1,3-7H2,2H3,(H,12,13);/q;+1/p-1
InChIKeyYSCFHPGVNSSGMM-UHFFFAOYSA-M
XLogP-3.20
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.14
LogP ≤ 5-3.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cesium 2-[[2-(2-methylprop-2-enyl)-2-adamantyl]oxy]-2-oxoacetate
CID 166436919
(4-acetyloxyoxan-4-yl)methyl acetate
CID 909733
[1-(2,2,3,3,4,4,4-heptafluorobutyl)cyclopentyl] 2-methylprop-2-enoate
CID 130411163
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
[1-(3,3,4,4,4-pentafluorobutyl)cyclopentyl] 2-methylprop-2-enoate
CID 90250893
[4-(morpholin-4-ylmethyl)oxan-4-yl] acetate
CID 90440424
(4-prop-1-en-2-yloxan-4-yl) 2,2-dimethylbutanoate
CID 165076093
2-(3-ethoxyoxolan-3-yl)acetic acid
CID 105435742
2-(4-methyloxan-4-yl)oxyacetamide
CID 152901349
[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclopentyl] 2-methylprop-2-enoate
CID 58999843
[4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate
CID 91287011
[4-(hydroxymethyl)oxan-4-yl] N-tert-butylcarbamate
CID 91113516

Frequently Asked Questions

What is the IUPAC name of cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate?
The IUPAC name of cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate (CID 166445390) is cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate.
What is the SMILES notation for cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate?
The canonical SMILES for cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate is C=C(C)CC1(OC(=O)C(=O)[O-])CCOCC1.[Cs+].
What is the InChIKey of cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate?
The InChIKey is YSCFHPGVNSSGMM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16O5.Cs/c1-8(2)7-11(3-5-15-6-4-11)16-10(14)9(12)13;/h1,3-7H2,2H3,(H,12,13);/q;+1/p-1.
What are the key properties of cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate?
cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate has a molecular weight of 360.14 g/mol, XLogP of -3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-[4-(2-methylprop-2-enyl)oxan-4-yl]oxy-2-oxoacetate is sourced from PubChem (CID 166445390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).