disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate

C19H32Na2O4 — CID 71314591

IUPACdisodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate
SMILESCCCCCCCCCCCCCC/C(C(=O)[O-])=C(\C)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C19H34O4.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21;;/h3-15H2,1-2H3,(H,20,21)(H,22,23);;/q;2*+1/p-2/b17-16-;;
InChIKeyFIKFWCKPWWTJBB-LSSNYKSTSA-L
MW370.44 g/mol
LogP-3.10
Rot. Bonds15

About disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate

disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate (PubChem CID 71314591) has the molecular formula C19H32Na2O4 and a molecular weight of 370.44 g/mol. Its IUPAC name is disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate.

Molecular Properties

Compound Namedisodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate
PubChem CID71314591
Molecular FormulaC19H32Na2O4
Molecular Weight370.44 g/mol
Exact Mass370.21
IUPAC Namedisodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate
SMILESCCCCCCCCCCCCCC/C(C(=O)[O-])=C(\C)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C19H34O4.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21;;/h3-15H2,1-2H3,(H,20,21)(H,22,23);;/q;2*+1/p-2/b17-16-;;
InChIKeyFIKFWCKPWWTJBB-LSSNYKSTSA-L
XLogP-3.10
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 5-3.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate?
The IUPAC name of disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate (CID 71314591) is disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate.
What is the SMILES notation for disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate?
The canonical SMILES for disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate is CCCCCCCCCCCCCC/C(C(=O)[O-])=C(\C)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate?
The InChIKey is FIKFWCKPWWTJBB-LSSNYKSTSA-L. The full InChI is InChI=1S/C19H34O4.2Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21;;/h3-15H2,1-2H3,(H,20,21)(H,22,23);;/q;2*+1/p-2/b17-16-;;.
What are the key properties of disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate?
disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate has a molecular weight of 370.44 g/mol, XLogP of -3.10, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(Z)-2-methyl-3-tetradecylbut-2-enedioate is sourced from PubChem (CID 71314591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).