sodium;hydride;nitro octadecanoate

C18H36NNaO4 — CID 174824151

IUPACsodium;hydride;nitro octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C18H35NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-19(21)22;;/h2-17H2,1H3;;/q;+1;-1
InChIKeyAODJAKRGEMAHSH-UHFFFAOYSA-N
MW353.48 g/mol
LogP3.10
Rot. Bonds17

About sodium;hydride;nitro octadecanoate

sodium;hydride;nitro octadecanoate (PubChem CID 174824151) has the molecular formula C18H36NNaO4 and a molecular weight of 353.48 g/mol. Its IUPAC name is sodium;hydride;nitro octadecanoate.

Molecular Properties

Compound Namesodium;hydride;nitro octadecanoate
PubChem CID174824151
Molecular FormulaC18H36NNaO4
Molecular Weight353.48 g/mol
Exact Mass353.25
IUPAC Namesodium;hydride;nitro octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C18H35NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-19(21)22;;/h2-17H2,1H3;;/q;+1;-1
InChIKeyAODJAKRGEMAHSH-UHFFFAOYSA-N
XLogP3.10
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

nitro (Z)-docos-13-enoate
CID 174673640
sodium;hydride;octanoyl octadecanoate
CID 173299765
sodium;ethyl octadecanoate;hydride
CID 174731148
sodium;2-dodecanoyloxyethyl octadecanoate;hydride
CID 174887882
sodium;bromo octanoate;hydride
CID 174796698
dimagnesium;hydride;octanoyl nonanoate
CID 173350216
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
sodium;hydride;octadecyl hexadecanoate
CID 174467496
sodium;carboxy octadecanoate;hydride
CID 174446369
sodium;hydride;hydroxymethyl tridecanoate
CID 175516324
heptanoyl octaneperoxoate
CID 142686679

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;nitro octadecanoate?
The IUPAC name of sodium;hydride;nitro octadecanoate (CID 174824151) is sodium;hydride;nitro octadecanoate.
What is the SMILES notation for sodium;hydride;nitro octadecanoate?
The canonical SMILES for sodium;hydride;nitro octadecanoate is CCCCCCCCCCCCCCCCCC(=O)O[N+](=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;hydride;nitro octadecanoate?
The InChIKey is AODJAKRGEMAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)23-19(21)22;;/h2-17H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;nitro octadecanoate?
sodium;hydride;nitro octadecanoate has a molecular weight of 353.48 g/mol, XLogP of 3.10, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;nitro octadecanoate is sourced from PubChem (CID 174824151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).