1-(3-ethylcyclobutyl)ethylphosphonic acid

C8H17O3P — CID 89372249

IUPAC1-(3-ethylcyclobutyl)ethylphosphonic acid
SMILESCCC1CC(C(C)P(=O)(O)O)C1
InChIInChI=1S/C8H17O3P/c1-3-7-4-8(5-7)6(2)12(9,10)11/h6-8H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyAICWWRZKNNZVTH-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.99
Rot. Bonds3

About 1-(3-ethylcyclobutyl)ethylphosphonic acid

1-(3-ethylcyclobutyl)ethylphosphonic acid (PubChem CID 89372249) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-(3-ethylcyclobutyl)ethylphosphonic acid.

Molecular Properties

Compound Name1-(3-ethylcyclobutyl)ethylphosphonic acid
PubChem CID89372249
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name1-(3-ethylcyclobutyl)ethylphosphonic acid
SMILESCCC1CC(C(C)P(=O)(O)O)C1
InChIInChI=1S/C8H17O3P/c1-3-7-4-8(5-7)6(2)12(9,10)11/h6-8H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyAICWWRZKNNZVTH-UHFFFAOYSA-N
XLogP1.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclobutyl)ethylphosphonic acid?
The IUPAC name of 1-(3-ethylcyclobutyl)ethylphosphonic acid (CID 89372249) is 1-(3-ethylcyclobutyl)ethylphosphonic acid.
What is the SMILES notation for 1-(3-ethylcyclobutyl)ethylphosphonic acid?
The canonical SMILES for 1-(3-ethylcyclobutyl)ethylphosphonic acid is CCC1CC(C(C)P(=O)(O)O)C1.
What is the InChIKey of 1-(3-ethylcyclobutyl)ethylphosphonic acid?
The InChIKey is AICWWRZKNNZVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-3-7-4-8(5-7)6(2)12(9,10)11/h6-8H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-(3-ethylcyclobutyl)ethylphosphonic acid?
1-(3-ethylcyclobutyl)ethylphosphonic acid has a molecular weight of 192.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclobutyl)ethylphosphonic acid is sourced from PubChem (CID 89372249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).