nonanoic acid;phosphoryl trichloride

C9H18Cl3O3P — CID 121455276

IUPACnonanoic acid;phosphoryl trichloride
SMILESCCCCCCCCC(=O)O.O=P(Cl)(Cl)Cl
InChIInChI=1S/C9H18O2.Cl3OP/c1-2-3-4-5-6-7-8-9(10)11;1-5(2,3)4/h2-8H2,1H3,(H,10,11);
InChIKeyONTVBXILZKGDMB-UHFFFAOYSA-N
MW311.57 g/mol
LogP5.63
Rot. Bonds7

About nonanoic acid;phosphoryl trichloride

nonanoic acid;phosphoryl trichloride (PubChem CID 121455276) has the molecular formula C9H18Cl3O3P and a molecular weight of 311.57 g/mol. Its IUPAC name is nonanoic acid;phosphoryl trichloride.

Molecular Properties

Compound Namenonanoic acid;phosphoryl trichloride
PubChem CID121455276
Molecular FormulaC9H18Cl3O3P
Molecular Weight311.57 g/mol
Exact Mass310.01
IUPAC Namenonanoic acid;phosphoryl trichloride
SMILESCCCCCCCCC(=O)O.O=P(Cl)(Cl)Cl
InChIInChI=1S/C9H18O2.Cl3OP/c1-2-3-4-5-6-7-8-9(10)11;1-5(2,3)4/h2-8H2,1H3,(H,10,11);
InChIKeyONTVBXILZKGDMB-UHFFFAOYSA-N
XLogP5.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.57
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octadecanoic acid;phosphoric acid
CID 160712069
decanoic acid
CID 173247116
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 nonanoic acid;phosphoryl trichloride?
The IUPAC name of nonanoic acid;phosphoryl trichloride (CID 121455276) is nonanoic acid;phosphoryl trichloride.
What is the SMILES notation for nonanoic acid;phosphoryl trichloride?
The canonical SMILES for nonanoic acid;phosphoryl trichloride is CCCCCCCCC(=O)O.O=P(Cl)(Cl)Cl.
What is the InChIKey of nonanoic acid;phosphoryl trichloride?
The InChIKey is ONTVBXILZKGDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.Cl3OP/c1-2-3-4-5-6-7-8-9(10)11;1-5(2,3)4/h2-8H2,1H3,(H,10,11);.
What are the key properties of nonanoic acid;phosphoryl trichloride?
nonanoic acid;phosphoryl trichloride has a molecular weight of 311.57 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonanoic acid;phosphoryl trichloride is sourced from PubChem (CID 121455276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).