dipotassium;2-[(E)-tetradec-2-enyl]butanedioate

C18H30K2O4 — CID 6453440

IUPACdipotassium;2-[(E)-tetradec-2-enyl]butanedioate
SMILESCCCCCCCCCCC/C=C/CC(CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C18H32O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(21)22)15-17(19)20;;/h12-13,16H,2-11,14-15H2,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2/b13-12+;;
InChIKeyKOQJWUWGOWQPIU-HPAIREQNSA-L
MW388.63 g/mol
LogP-3.63
Rot. Bonds15

About dipotassium;2-[(E)-tetradec-2-enyl]butanedioate

dipotassium;2-[(E)-tetradec-2-enyl]butanedioate (PubChem CID 6453440) has the molecular formula C18H30K2O4 and a molecular weight of 388.63 g/mol. Its IUPAC name is dipotassium;2-[(E)-tetradec-2-enyl]butanedioate.

Molecular Properties

Compound Namedipotassium;2-[(E)-tetradec-2-enyl]butanedioate
PubChem CID6453440
Molecular FormulaC18H30K2O4
Molecular Weight388.63 g/mol
Exact Mass388.14
IUPAC Namedipotassium;2-[(E)-tetradec-2-enyl]butanedioate
SMILESCCCCCCCCCCC/C=C/CC(CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C18H32O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(21)22)15-17(19)20;;/h12-13,16H,2-11,14-15H2,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2/b13-12+;;
InChIKeyKOQJWUWGOWQPIU-HPAIREQNSA-L
XLogP-3.63
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 5-3.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;2-oct-2-enylbutanedioate
CID 138395843
potassium (E)-3-carboxytricos-11-enoate
CID 101278038
potassium (E)-3-carboxytricos-12-enoate
CID 101278039
2-(2-cyclohexyloxy-2-oxoethyl)icos-4-enoate
CID 139597490
sodium (Z)-2-hexadecyloctadec-9-enoate
CID 174999007
dipotassium;2-[(E)-oct-1-enyl]butanedioate
CID 21116975
dipotassium;2-[(E)-octadec-1-enyl]butanedioate
CID 23499725
sodium (E)-2-[2-[2-(2-hydroxyethoxy)ethoxy]-2-oxoethyl]tetradec-4-enoate
CID 23679912
3-(cyclohexylmethoxycarbonyl)henicos-5-enoate
CID 139595465
potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848
(2R)-2-[(E)-hexadec-2-enyl]butanedioic acid
CID 98067241
2-[(2E,9E)-hexadeca-2,9-dienyl]butanedioic acid
CID 101278130

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[(E)-tetradec-2-enyl]butanedioate?
The IUPAC name of dipotassium;2-[(E)-tetradec-2-enyl]butanedioate (CID 6453440) is dipotassium;2-[(E)-tetradec-2-enyl]butanedioate.
What is the SMILES notation for dipotassium;2-[(E)-tetradec-2-enyl]butanedioate?
The canonical SMILES for dipotassium;2-[(E)-tetradec-2-enyl]butanedioate is CCCCCCCCCCC/C=C/CC(CC(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-[(E)-tetradec-2-enyl]butanedioate?
The InChIKey is KOQJWUWGOWQPIU-HPAIREQNSA-L. The full InChI is InChI=1S/C18H32O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(21)22)15-17(19)20;;/h12-13,16H,2-11,14-15H2,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2/b13-12+;;.
What are the key properties of dipotassium;2-[(E)-tetradec-2-enyl]butanedioate?
dipotassium;2-[(E)-tetradec-2-enyl]butanedioate has a molecular weight of 388.63 g/mol, XLogP of -3.63, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-[(E)-tetradec-2-enyl]butanedioate is sourced from PubChem (CID 6453440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).