disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate

C16H20Na2O4 — CID 18000679

IUPACdisodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate
SMILESC/C=C/C(/C=C/C)(C(=O)[O-])C(/C=C/C)(/C=C/C)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C16H22O4.2Na/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;;/h5-12H,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/p-2/b9-5+,10-6+,11-7+,12-8+;;
InChIKeyKOHOFWNHOIRZQM-WSDUHDJSSA-L
MW322.31 g/mol
LogP-5.23
Rot. Bonds7

About disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate

disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate (PubChem CID 18000679) has the molecular formula C16H20Na2O4 and a molecular weight of 322.31 g/mol. Its IUPAC name is disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate.

Molecular Properties

Compound Namedisodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate
PubChem CID18000679
Molecular FormulaC16H20Na2O4
Molecular Weight322.31 g/mol
Exact Mass322.12
IUPAC Namedisodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate
SMILESC/C=C/C(/C=C/C)(C(=O)[O-])C(/C=C/C)(/C=C/C)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C16H22O4.2Na/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;;/h5-12H,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/p-2/b9-5+,10-6+,11-7+,12-8+;;
InChIKeyKOHOFWNHOIRZQM-WSDUHDJSSA-L
XLogP-5.23
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 5-5.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Butanedioic acid, 2-(tetrapropenyl)-, 1-methyl ester, strontium salt (2:1)
CID 44150316
Butanedioic acid, 2-(tetrapropenyl)-, potassium salt (1:2)
CID 85470825
3-(Methoxycarbonyl)-2,2,3-tri(prop-1-en-1-yl)hex-4-enoate
CID 71371464
Tetra(prop-1-en-1-yl)butanedioic acid
CID 53438504
3-Methoxycarbonyl-2,2,3-tris(prop-1-enyl)hex-4-enoic acid
CID 54359825
Disodium;2,2,3,3-tetrakis(prop-1-enyl)butanedioate
CID 73415310
Calcium 2,2,3,3-tetrakis(prop-1-enyl)butanedioate
CID 73653148
Dimethyl tri-isobutenylsuccinate
CID 129728072
dipropyl (2S,3R)-2-[(E)-4,4-dimethylpent-1-enyl]-3-ethenylbutanedioate
CID 134980064
Dilithium tetrapropenylsuccinate
CID 6455363
2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioic acid
CID 6455364
Calcium (tetrapropenyl)succinate
CID 19764208

Frequently Asked Questions

What is the IUPAC name of disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate?
The IUPAC name of disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate (CID 18000679) is disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate.
What is the SMILES notation for disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate?
The canonical SMILES for disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate is C/C=C/C(/C=C/C)(C(=O)[O-])C(/C=C/C)(/C=C/C)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate?
The InChIKey is KOHOFWNHOIRZQM-WSDUHDJSSA-L. The full InChI is InChI=1S/C16H22O4.2Na/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;;/h5-12H,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/p-2/b9-5+,10-6+,11-7+,12-8+;;.
What are the key properties of disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate?
disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate has a molecular weight of 322.31 g/mol, XLogP of -5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2,2,3,3-tetrakis[(E)-prop-1-enyl]butanedioate is sourced from PubChem (CID 18000679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).