strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)

C20H18O8Sr — CID 87864699

IUPACstrontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)
SMILESCO/C(=C\c1ccc([O-])cc1)C(=O)O.CO/C(=C\c1ccc([O-])cc1)C(=O)O.[Sr+2]
InChIInChI=1S/2C10H10O4.Sr/c2*1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;/h2*2-6,11H,1H3,(H,12,13);/q;;+2/p-2/b2*9-6-;
InChIKeyRDSOTGRXSCUKDJ-MMEIPCRISA-L
MW473.98 g/mol
LogP1.28
Rot. Bonds6

About strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)

strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate) (PubChem CID 87864699) has the molecular formula C20H18O8Sr and a molecular weight of 473.98 g/mol. Its IUPAC name is strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate).

Molecular Properties

Compound Namestrontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)
PubChem CID87864699
Molecular FormulaC20H18O8Sr
Molecular Weight473.98 g/mol
Exact Mass474.01
IUPAC Namestrontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)
SMILESCO/C(=C\c1ccc([O-])cc1)C(=O)O.CO/C(=C\c1ccc([O-])cc1)C(=O)O.[Sr+2]
InChIInChI=1S/2C10H10O4.Sr/c2*1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;/h2*2-6,11H,1H3,(H,12,13);/q;;+2/p-2/b2*9-6-;
InChIKeyRDSOTGRXSCUKDJ-MMEIPCRISA-L
XLogP1.28
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate) 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

(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
ethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177600
N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177567
azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177562
(Z)-2-methoxy-3-[4-[3-(methylamino)phenyl]phenyl]prop-2-enoic acid
CID 68961559
methanamine;2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177580
3-(3-bromophenyl)-2-methoxyprop-2-enoic acid
CID 67763636
ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177701
2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid;N-propan-2-ylpropan-2-amine
CID 173177587

Frequently Asked Questions

What is the IUPAC name of strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)?
The IUPAC name of strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate) (CID 87864699) is strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate).
What is the SMILES notation for strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)?
The canonical SMILES for strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate) is CO/C(=C\c1ccc([O-])cc1)C(=O)O.CO/C(=C\c1ccc([O-])cc1)C(=O)O.[Sr+2].
What is the InChIKey of strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)?
The InChIKey is RDSOTGRXSCUKDJ-MMEIPCRISA-L. The full InChI is InChI=1S/2C10H10O4.Sr/c2*1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;/h2*2-6,11H,1H3,(H,12,13);/q;;+2/p-2/b2*9-6-;.
What are the key properties of strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate)?
strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate) has a molecular weight of 473.98 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(4-[(Z)-2-carboxy-2-methoxyethenyl]phenolate) is sourced from PubChem (CID 87864699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).