strontium;hydride;(E)-2-methylbut-2-enedioic acid

C5H8O4Sr — CID 173151439

IUPACstrontium;hydride;(E)-2-methylbut-2-enedioic acid
SMILESC/C(=C\C(=O)O)C(=O)O.[H-].[H-].[Sr+2]
InChIInChI=1S/C5H6O4.Sr.2H/c1-3(5(8)9)2-4(6)7;;;/h2H,1H3,(H,6,7)(H,8,9);;;/q;+2;2*-1/b3-2+;;;
InChIKeyRXCGCGYQBNCANJ-HZBIHQSRSA-N
MW219.73 g/mol
LogP-0.05
Rot. Bonds2

About strontium;hydride;(E)-2-methylbut-2-enedioic acid

strontium;hydride;(E)-2-methylbut-2-enedioic acid (PubChem CID 173151439) has the molecular formula C5H8O4Sr and a molecular weight of 219.73 g/mol. Its IUPAC name is strontium;hydride;(E)-2-methylbut-2-enedioic acid.

Molecular Properties

Compound Namestrontium;hydride;(E)-2-methylbut-2-enedioic acid
PubChem CID173151439
Molecular FormulaC5H8O4Sr
Molecular Weight219.73 g/mol
Exact Mass219.95
IUPAC Namestrontium;hydride;(E)-2-methylbut-2-enedioic acid
SMILESC/C(=C\C(=O)O)C(=O)O.[H-].[H-].[Sr+2]
InChIInChI=1S/C5H6O4.Sr.2H/c1-3(5(8)9)2-4(6)7;;;/h2H,1H3,(H,6,7)(H,8,9);;;/q;+2;2*-1/b3-2+;;;
InChIKeyRXCGCGYQBNCANJ-HZBIHQSRSA-N
XLogP-0.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.73
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis((E)-2-methylbut-2-enedioic acid);zirconium
CID 146019810
but-2-enedioic acid;2-methylbut-2-enedioic acid
CID 173069076
(Z)-2-methylbut-2-enedioic acid;pentanedioic acid
CID 175143944
di(propan-2-yl)tin;(Z)-2-methylbut-2-enedioic acid
CID 159532184
1-chlorobuta-1,3-diene;(Z)-2-methylbut-2-enedioic acid
CID 174909115
2-methylbut-2-enedioic acid;phthalic acid
CID 67855060
2-methylbut-2-enoic acid;3-methylbut-2-enoic acid
CID 158806773
4-chloro-2-methyl-4-oxobut-2-enoic acid
CID 91524187
(Z)-4-hydroxy-2-methyl-4-oxobut-2-enoate
CID 22608878
calcium;hydride;3-methylbut-2-enoic acid
CID 175564859
(Z)-2-methylbut-2-enedioic acid;3-phenylprop-2-enoic acid
CID 66896559
4-butyl-2-methylhexa-2,4-dienedioic acid
CID 87309665

Frequently Asked Questions

What is the IUPAC name of strontium;hydride;(E)-2-methylbut-2-enedioic acid?
The IUPAC name of strontium;hydride;(E)-2-methylbut-2-enedioic acid (CID 173151439) is strontium;hydride;(E)-2-methylbut-2-enedioic acid.
What is the SMILES notation for strontium;hydride;(E)-2-methylbut-2-enedioic acid?
The canonical SMILES for strontium;hydride;(E)-2-methylbut-2-enedioic acid is C/C(=C\C(=O)O)C(=O)O.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;hydride;(E)-2-methylbut-2-enedioic acid?
The InChIKey is RXCGCGYQBNCANJ-HZBIHQSRSA-N. The full InChI is InChI=1S/C5H6O4.Sr.2H/c1-3(5(8)9)2-4(6)7;;;/h2H,1H3,(H,6,7)(H,8,9);;;/q;+2;2*-1/b3-2+;;;.
What are the key properties of strontium;hydride;(E)-2-methylbut-2-enedioic acid?
strontium;hydride;(E)-2-methylbut-2-enedioic acid has a molecular weight of 219.73 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;hydride;(E)-2-methylbut-2-enedioic acid is sourced from PubChem (CID 173151439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).