disodium;2-undecylpropanedioate

C14H24Na2O4 — CID 139411931

IUPACdisodium;2-undecylpropanedioate
SMILESCCCCCCCCCCCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C14H26O4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18;;/h12H,2-11H2,1H3,(H,15,16)(H,17,18);;/q;2*+1/p-2
InChIKeyPJDCQFWDRCADJP-UHFFFAOYSA-L
MW302.32 g/mol
LogP-4.97
Rot. Bonds12

About disodium;2-undecylpropanedioate

disodium;2-undecylpropanedioate (PubChem CID 139411931) has the molecular formula C14H24Na2O4 and a molecular weight of 302.32 g/mol. Its IUPAC name is disodium;2-undecylpropanedioate.

Molecular Properties

Compound Namedisodium;2-undecylpropanedioate
PubChem CID139411931
Molecular FormulaC14H24Na2O4
Molecular Weight302.32 g/mol
Exact Mass302.15
IUPAC Namedisodium;2-undecylpropanedioate
SMILESCCCCCCCCCCCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C14H26O4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18;;/h12H,2-11H2,1H3,(H,15,16)(H,17,18);;/q;2*+1/p-2
InChIKeyPJDCQFWDRCADJP-UHFFFAOYSA-L
XLogP-4.97
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 5-4.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

potassium;sodium;2-octylpropanedioate
CID 139411906
dilithium;2-decylpropanedioate
CID 139411609
disilver;2-nonylpropanedioate
CID 22008246
diazanium;2-hexadecylpropanedioate
CID 156776490
lithium;potassium;2-octylpropanedioate
CID 139411809
lithium;potassium;2-decylpropanedioate
CID 139411999
dilithium;2-pentylpropanedioate
CID 139411543
aluminum tris(2-acetyltetradecanoate)
CID 22342279
aluminum tris(2-acetylhexadecanoate)
CID 22342207
2-hexyl-3-methylidenebutanedioate
CID 23311559
magnesium 2-(2-pentyltetradecyl)propanedioate
CID 175226063
barium(2+);bis(2-methoxycarbonylicosanoate)
CID 88733904

Frequently Asked Questions

What is the IUPAC name of disodium;2-undecylpropanedioate?
The IUPAC name of disodium;2-undecylpropanedioate (CID 139411931) is disodium;2-undecylpropanedioate.
What is the SMILES notation for disodium;2-undecylpropanedioate?
The canonical SMILES for disodium;2-undecylpropanedioate is CCCCCCCCCCCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-undecylpropanedioate?
The InChIKey is PJDCQFWDRCADJP-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H26O4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18;;/h12H,2-11H2,1H3,(H,15,16)(H,17,18);;/q;2*+1/p-2.
What are the key properties of disodium;2-undecylpropanedioate?
disodium;2-undecylpropanedioate has a molecular weight of 302.32 g/mol, XLogP of -4.97, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-undecylpropanedioate is sourced from PubChem (CID 139411931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).