strontium bis((E)-4-oxo-4-propoxybut-2-enoate)

C14H18O8Sr — CID 11524184

IUPACstrontium bis((E)-4-oxo-4-propoxybut-2-enoate)
SMILESCCCOC(=O)/C=C/C(=O)[O-].CCCOC(=O)/C=C/C(=O)[O-].[Sr+2]
InChIInChI=1S/2C7H10O4.Sr/c2*1-2-5-11-7(10)4-3-6(8)9;/h2*3-4H,2,5H2,1H3,(H,8,9);/q;;+2/p-2/b2*4-3+;
InChIKeyIIOIMQWZBXQSCA-SYWGCQIGSA-L
MW401.91 g/mol
LogP-1.89
Rot. Bonds8

About strontium bis((E)-4-oxo-4-propoxybut-2-enoate)

strontium bis((E)-4-oxo-4-propoxybut-2-enoate) (PubChem CID 11524184) has the molecular formula C14H18O8Sr and a molecular weight of 401.91 g/mol. Its IUPAC name is strontium bis((E)-4-oxo-4-propoxybut-2-enoate).

Molecular Properties

Compound Namestrontium bis((E)-4-oxo-4-propoxybut-2-enoate)
PubChem CID11524184
Molecular FormulaC14H18O8Sr
Molecular Weight401.91 g/mol
Exact Mass402.01
IUPAC Namestrontium bis((E)-4-oxo-4-propoxybut-2-enoate)
SMILESCCCOC(=O)/C=C/C(=O)[O-].CCCOC(=O)/C=C/C(=O)[O-].[Sr+2]
InChIInChI=1S/2C7H10O4.Sr/c2*1-2-5-11-7(10)4-3-6(8)9;/h2*3-4H,2,5H2,1H3,(H,8,9);/q;;+2/p-2/b2*4-3+;
InChIKeyIIOIMQWZBXQSCA-SYWGCQIGSA-L
XLogP-1.89
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

strontium bis(4-dodecoxy-4-oxobut-2-enoate)
CID 173326480
cadmium(2+);bis((Z)-4-decoxy-4-oxobut-2-enoate)
CID 101277104
potassium 4-hexadecoxy-4-oxobut-2-enoate
CID 74085078
sodium (E)-4-dodecoxy-4-oxobut-2-enoate
CID 23706298
sodium (Z)-4-hexadecoxy-4-oxobut-2-enoate
CID 88835636
zinc bis((Z)-4-decoxy-4-oxobut-2-enoate)
CID 101277118
zinc bis((E)-4-dodecoxy-4-oxobut-2-enoate)
CID 86744016
zinc bis(4-(2-methoxyethoxy)-4-oxobut-2-enoate)
CID 162085133
1-O-propyl 4-O-silyl but-2-enedioate
CID 154277223
(Z)-4-(2-hydroxyethoxy)-4-oxobut-2-enoate
CID 59904350
cadmium;(Z)-4-ethoxy-4-oxobut-2-enoate
CID 175407856
calcium (E)-4-ethoxy-4-oxobut-2-enoate
CID 22568505

Frequently Asked Questions

What is the IUPAC name of strontium bis((E)-4-oxo-4-propoxybut-2-enoate)?
The IUPAC name of strontium bis((E)-4-oxo-4-propoxybut-2-enoate) (CID 11524184) is strontium bis((E)-4-oxo-4-propoxybut-2-enoate).
What is the SMILES notation for strontium bis((E)-4-oxo-4-propoxybut-2-enoate)?
The canonical SMILES for strontium bis((E)-4-oxo-4-propoxybut-2-enoate) is CCCOC(=O)/C=C/C(=O)[O-].CCCOC(=O)/C=C/C(=O)[O-].[Sr+2].
What is the InChIKey of strontium bis((E)-4-oxo-4-propoxybut-2-enoate)?
The InChIKey is IIOIMQWZBXQSCA-SYWGCQIGSA-L. The full InChI is InChI=1S/2C7H10O4.Sr/c2*1-2-5-11-7(10)4-3-6(8)9;/h2*3-4H,2,5H2,1H3,(H,8,9);/q;;+2/p-2/b2*4-3+;.
What are the key properties of strontium bis((E)-4-oxo-4-propoxybut-2-enoate)?
strontium bis((E)-4-oxo-4-propoxybut-2-enoate) has a molecular weight of 401.91 g/mol, XLogP of -1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis((E)-4-oxo-4-propoxybut-2-enoate) is sourced from PubChem (CID 11524184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).