sodium undec-10-enoate

C11H19NaO2 — CID 23667258

IUPACsodium undec-10-enoate
SMILESC=CCCCCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1
InChIKeyDKYPZNSPQXLRRQ-UHFFFAOYSA-M
MW206.26 g/mol
LogP-0.95
Rot. Bonds9

About sodium undec-10-enoate

sodium undec-10-enoate (PubChem CID 23667258) has the molecular formula C11H19NaO2 and a molecular weight of 206.26 g/mol. Its IUPAC name is sodium undec-10-enoate.

Molecular Properties

Compound Namesodium undec-10-enoate
PubChem CID23667258
Molecular FormulaC11H19NaO2
Molecular Weight206.26 g/mol
Exact Mass206.13
IUPAC Namesodium undec-10-enoate
SMILESC=CCCCCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1
InChIKeyDKYPZNSPQXLRRQ-UHFFFAOYSA-M
XLogP-0.95
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium undec-10-enoate?
The IUPAC name of sodium undec-10-enoate (CID 23667258) is sodium undec-10-enoate.
What is the SMILES notation for sodium undec-10-enoate?
The canonical SMILES for sodium undec-10-enoate is C=CCCCCCCCCC(=O)[O-].[Na+].
What is the InChIKey of sodium undec-10-enoate?
The InChIKey is DKYPZNSPQXLRRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1.
What are the key properties of sodium undec-10-enoate?
sodium undec-10-enoate has a molecular weight of 206.26 g/mol, XLogP of -0.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium undec-10-enoate is sourced from PubChem (CID 23667258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).