(1-phosphono-3-propylcyclobutyl)phosphonic acid

C7H16O6P2 — CID 19821558

IUPAC(1-phosphono-3-propylcyclobutyl)phosphonic acid
SMILESCCCC1CC(P(=O)(O)O)(P(=O)(O)O)C1
InChIInChI=1S/C7H16O6P2/c1-2-3-6-4-7(5-6,14(8,9)10)15(11,12)13/h6H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)
InChIKeyFYJSVULOOMGVMA-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.25
Rot. Bonds4

About (1-phosphono-3-propylcyclobutyl)phosphonic acid

(1-phosphono-3-propylcyclobutyl)phosphonic acid (PubChem CID 19821558) has the molecular formula C7H16O6P2 and a molecular weight of 258.15 g/mol. Its IUPAC name is (1-phosphono-3-propylcyclobutyl)phosphonic acid.

Molecular Properties

Compound Name(1-phosphono-3-propylcyclobutyl)phosphonic acid
PubChem CID19821558
Molecular FormulaC7H16O6P2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name(1-phosphono-3-propylcyclobutyl)phosphonic acid
SMILESCCCC1CC(P(=O)(O)O)(P(=O)(O)O)C1
InChIInChI=1S/C7H16O6P2/c1-2-3-6-4-7(5-6,14(8,9)10)15(11,12)13/h6H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13)
InChIKeyFYJSVULOOMGVMA-UHFFFAOYSA-N
XLogP1.25
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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-phosphono-3-propylcyclobutyl)phosphonic acid?
The IUPAC name of (1-phosphono-3-propylcyclobutyl)phosphonic acid (CID 19821558) is (1-phosphono-3-propylcyclobutyl)phosphonic acid.
What is the SMILES notation for (1-phosphono-3-propylcyclobutyl)phosphonic acid?
The canonical SMILES for (1-phosphono-3-propylcyclobutyl)phosphonic acid is CCCC1CC(P(=O)(O)O)(P(=O)(O)O)C1.
What is the InChIKey of (1-phosphono-3-propylcyclobutyl)phosphonic acid?
The InChIKey is FYJSVULOOMGVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O6P2/c1-2-3-6-4-7(5-6,14(8,9)10)15(11,12)13/h6H,2-5H2,1H3,(H2,8,9,10)(H2,11,12,13).
What are the key properties of (1-phosphono-3-propylcyclobutyl)phosphonic acid?
(1-phosphono-3-propylcyclobutyl)phosphonic acid has a molecular weight of 258.15 g/mol, XLogP of 1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phosphono-3-propylcyclobutyl)phosphonic acid is sourced from PubChem (CID 19821558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).