sodium;2-O-amino 1-O-dodecyl oxalate;hydride

C14H28NNaO4 — CID 174526441

IUPACsodium;2-O-amino 1-O-dodecyl oxalate;hydride
SMILESCCCCCCCCCCCCOC(=O)C(=O)ON.[H-].[Na+]
InChIInChI=1S/C14H27NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(16)14(17)19-15;;/h2-12,15H2,1H3;;/q;+1;-1
InChIKeyBKPLVWJZJCLYBE-UHFFFAOYSA-N
MW297.37 g/mol
LogP-0.02
Rot. Bonds11

About sodium;2-O-amino 1-O-dodecyl oxalate;hydride

sodium;2-O-amino 1-O-dodecyl oxalate;hydride (PubChem CID 174526441) has the molecular formula C14H28NNaO4 and a molecular weight of 297.37 g/mol. Its IUPAC name is sodium;2-O-amino 1-O-dodecyl oxalate;hydride.

Molecular Properties

Compound Namesodium;2-O-amino 1-O-dodecyl oxalate;hydride
PubChem CID174526441
Molecular FormulaC14H28NNaO4
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Namesodium;2-O-amino 1-O-dodecyl oxalate;hydride
SMILESCCCCCCCCCCCCOC(=O)C(=O)ON.[H-].[Na+]
InChIInChI=1S/C14H27NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(16)14(17)19-15;;/h2-12,15H2,1H3;;/q;+1;-1
InChIKeyBKPLVWJZJCLYBE-UHFFFAOYSA-N
XLogP-0.02
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ditridecyl oxalate
CID 18377796
dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
potassium 2-nonoxy-2-oxoacetate
CID 102118471
2-O-(2-methylpropyl) 1-O-octadecyl oxalate
CID 6420713
dipentyl (Z)-2,3-dimethylbut-2-enedioate
CID 175563283
sodium;hydride;octadecyl hexadecanoate
CID 174467496
dioctyl 2-hexyl-3-pentylbut-2-enedioate
CID 173381327
dioctyl 2-heptyl-3-octylbut-2-enedioate
CID 173381356
dioctyl (Z)-2,3-dioctylbut-2-enedioate;stannane
CID 173164336
dioctyl (Z)-2,3-dibutylbut-2-enedioate
CID 87922304

Frequently Asked Questions

What is the IUPAC name of sodium;2-O-amino 1-O-dodecyl oxalate;hydride?
The IUPAC name of sodium;2-O-amino 1-O-dodecyl oxalate;hydride (CID 174526441) is sodium;2-O-amino 1-O-dodecyl oxalate;hydride.
What is the SMILES notation for sodium;2-O-amino 1-O-dodecyl oxalate;hydride?
The canonical SMILES for sodium;2-O-amino 1-O-dodecyl oxalate;hydride is CCCCCCCCCCCCOC(=O)C(=O)ON.[H-].[Na+].
What is the InChIKey of sodium;2-O-amino 1-O-dodecyl oxalate;hydride?
The InChIKey is BKPLVWJZJCLYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-18-13(16)14(17)19-15;;/h2-12,15H2,1H3;;/q;+1;-1.
What are the key properties of sodium;2-O-amino 1-O-dodecyl oxalate;hydride?
sodium;2-O-amino 1-O-dodecyl oxalate;hydride has a molecular weight of 297.37 g/mol, XLogP of -0.02, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-O-amino 1-O-dodecyl oxalate;hydride is sourced from PubChem (CID 174526441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).