(1-methoxycarbonylcyclopentyl)phosphonic acid

C7H13O5P — CID 70142397

IUPAC(1-methoxycarbonylcyclopentyl)phosphonic acid
SMILESCOC(=O)C1(P(=O)(O)O)CCCC1
InChIInChI=1S/C7H13O5P/c1-12-6(8)7(13(9,10)11)4-2-3-5-7/h2-5H2,1H3,(H2,9,10,11)
InChIKeyQJEXAPPVGUHRAA-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.65
Rot. Bonds2

About (1-methoxycarbonylcyclopentyl)phosphonic acid

(1-methoxycarbonylcyclopentyl)phosphonic acid (PubChem CID 70142397) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is (1-methoxycarbonylcyclopentyl)phosphonic acid.

Molecular Properties

Compound Name(1-methoxycarbonylcyclopentyl)phosphonic acid
PubChem CID70142397
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name(1-methoxycarbonylcyclopentyl)phosphonic acid
SMILESCOC(=O)C1(P(=O)(O)O)CCCC1
InChIInChI=1S/C7H13O5P/c1-12-6(8)7(13(9,10)11)4-2-3-5-7/h2-5H2,1H3,(H2,9,10,11)
InChIKeyQJEXAPPVGUHRAA-UHFFFAOYSA-N
XLogP0.65
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxycarbonylcyclopentyl)phosphonic acid?
The IUPAC name of (1-methoxycarbonylcyclopentyl)phosphonic acid (CID 70142397) is (1-methoxycarbonylcyclopentyl)phosphonic acid.
What is the SMILES notation for (1-methoxycarbonylcyclopentyl)phosphonic acid?
The canonical SMILES for (1-methoxycarbonylcyclopentyl)phosphonic acid is COC(=O)C1(P(=O)(O)O)CCCC1.
What is the InChIKey of (1-methoxycarbonylcyclopentyl)phosphonic acid?
The InChIKey is QJEXAPPVGUHRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O5P/c1-12-6(8)7(13(9,10)11)4-2-3-5-7/h2-5H2,1H3,(H2,9,10,11).
What are the key properties of (1-methoxycarbonylcyclopentyl)phosphonic acid?
(1-methoxycarbonylcyclopentyl)phosphonic acid has a molecular weight of 208.15 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycarbonylcyclopentyl)phosphonic acid is sourced from PubChem (CID 70142397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).