nitric acid;octadecanoic acid

C18H37NO5 — CID 87918075

IUPACnitric acid;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O=[N+]([O-])O
InChIInChI=1S/C18H36O2.HNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h2-17H2,1H3,(H,19,20);(H,2,3,4)
InChIKeyWHEYDXBVZNOICC-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.98
Rot. Bonds16

About nitric acid;octadecanoic acid

nitric acid;octadecanoic acid (PubChem CID 87918075) has the molecular formula C18H37NO5 and a molecular weight of 347.50 g/mol. Its IUPAC name is nitric acid;octadecanoic acid.

Molecular Properties

Compound Namenitric acid;octadecanoic acid
PubChem CID87918075
Molecular FormulaC18H37NO5
Molecular Weight347.50 g/mol
Exact Mass347.27
IUPAC Namenitric acid;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O=[N+]([O-])O
InChIInChI=1S/C18H36O2.HNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h2-17H2,1H3,(H,19,20);(H,2,3,4)
InChIKeyWHEYDXBVZNOICC-UHFFFAOYSA-N
XLogP5.98
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of nitric acid;octadecanoic acid?
The IUPAC name of nitric acid;octadecanoic acid (CID 87918075) is nitric acid;octadecanoic acid.
What is the SMILES notation for nitric acid;octadecanoic acid?
The canonical SMILES for nitric acid;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.O=[N+]([O-])O.
What is the InChIKey of nitric acid;octadecanoic acid?
The InChIKey is WHEYDXBVZNOICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.HNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h2-17H2,1H3,(H,19,20);(H,2,3,4).
What are the key properties of nitric acid;octadecanoic acid?
nitric acid;octadecanoic acid has a molecular weight of 347.50 g/mol, XLogP of 5.98, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;octadecanoic acid is sourced from PubChem (CID 87918075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).