5-chlorononane;phosphoric acid

C9H22ClO4P — CID 88768187

IUPAC5-chlorononane;phosphoric acid
SMILESCCCCC(Cl)CCCC.O=P(O)(O)O
InChIInChI=1S/C9H19Cl.H3O4P/c1-3-5-7-9(10)8-6-4-2;1-5(2,3)4/h9H,3-8H2,1-2H3;(H3,1,2,3,4)
InChIKeyPUEWWEIZDKGNOU-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.05
Rot. Bonds6

About 5-chlorononane;phosphoric acid

5-chlorononane;phosphoric acid (PubChem CID 88768187) has the molecular formula C9H22ClO4P and a molecular weight of 260.70 g/mol. Its IUPAC name is 5-chlorononane;phosphoric acid.

Molecular Properties

Compound Name5-chlorononane;phosphoric acid
PubChem CID88768187
Molecular FormulaC9H22ClO4P
Molecular Weight260.70 g/mol
Exact Mass260.09
IUPAC Name5-chlorononane;phosphoric acid
SMILESCCCCC(Cl)CCCC.O=P(O)(O)O
InChIInChI=1S/C9H19Cl.H3O4P/c1-3-5-7-9(10)8-6-4-2;1-5(2,3)4/h9H,3-8H2,1-2H3;(H3,1,2,3,4)
InChIKeyPUEWWEIZDKGNOU-UHFFFAOYSA-N
XLogP3.05
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chlorooctylphosphonic acid
CID 87857502
2-chloroheptylphosphonic acid
CID 12601850
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
(3S)-3-chloro-1-methoxyheptane
CID 129365628
17-chlorotritriacontane
CID 87852962
1,5-dichlorononane
CID 57182000
dodecane;phosphoric acid
CID 88801558
hexan-2-amine;phosphoric acid;propane
CID 175129773
2-chloro-1-(2-chlorohexylseleninyl)hexane
CID 134926035
3-chloroheptanamide
CID 174735984
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920

Frequently Asked Questions

What is the IUPAC name of 5-chlorononane;phosphoric acid?
The IUPAC name of 5-chlorononane;phosphoric acid (CID 88768187) is 5-chlorononane;phosphoric acid.
What is the SMILES notation for 5-chlorononane;phosphoric acid?
The canonical SMILES for 5-chlorononane;phosphoric acid is CCCCC(Cl)CCCC.O=P(O)(O)O.
What is the InChIKey of 5-chlorononane;phosphoric acid?
The InChIKey is PUEWWEIZDKGNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl.H3O4P/c1-3-5-7-9(10)8-6-4-2;1-5(2,3)4/h9H,3-8H2,1-2H3;(H3,1,2,3,4).
What are the key properties of 5-chlorononane;phosphoric acid?
5-chlorononane;phosphoric acid has a molecular weight of 260.70 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorononane;phosphoric acid is sourced from PubChem (CID 88768187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).