CID 175984462

C14H28ClNNaO3 — CID 175984462

IUPAC—
SMILESCCCCCCCCCCCC(=O)OC(=O)CN.Cl.[Na]
InChIInChI=1S/C14H27NO3.ClH.Na/c1-2-3-4-5-6-7-8-9-10-11-13(16)18-14(17)12-15;;/h2-12,15H2,1H3;1H;
InChIKeyIMLLZZZIRYDQOR-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.98
Rot. Bonds11

About CID 175984462

CID 175984462 (PubChem CID 175984462) has the molecular formula C14H28ClNNaO3 and a molecular weight of 316.83 g/mol.

Molecular Properties

Compound NameCID 175984462
PubChem CID175984462
Molecular FormulaC14H28ClNNaO3
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC Name—
SMILESCCCCCCCCCCCC(=O)OC(=O)CN.Cl.[Na]
InChIInChI=1S/C14H27NO3.ClH.Na/c1-2-3-4-5-6-7-8-9-10-11-13(16)18-14(17)12-15;;/h2-12,15H2,1H3;1H;
InChIKeyIMLLZZZIRYDQOR-UHFFFAOYSA-N
XLogP2.98
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.98
H-Bond Donors ≤ 51
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

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octadecanoyl octatriacontanoate
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dodecanoyl dodecanoate;sulfane
CID 174888621
1-O-(2-aminoacetyl) 5-O-dodecanoyl (2S)-2-aminopentanedioate
CID 174825686
dimagnesium;hydride;octanoyl nonanoate
CID 173350216
barium(2+);hydride;tetradecanoyl octadecanoate
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dodecanoyl dodecanoate;ethanol
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Frequently Asked Questions

What is the IUPAC name of CID 175984462?
The IUPAC name of CID 175984462 (CID 175984462) is not available.
What is the SMILES notation for CID 175984462?
The canonical SMILES for CID 175984462 is CCCCCCCCCCCC(=O)OC(=O)CN.Cl.[Na].
What is the InChIKey of CID 175984462?
The InChIKey is IMLLZZZIRYDQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3.ClH.Na/c1-2-3-4-5-6-7-8-9-10-11-13(16)18-14(17)12-15;;/h2-12,15H2,1H3;1H;.
What are the key properties of CID 175984462?
CID 175984462 has a molecular weight of 316.83 g/mol, XLogP of 2.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175984462 is sourced from PubChem (CID 175984462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).