(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid

C8H15O4P — CID 87598523

IUPAC(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CC(=O)CC1CC1
InChIInChI=1S/C8H15O4P/c1-2-12-13(10,11)6-8(9)5-7-3-4-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyAWSZNFGRNHXACR-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.58
Rot. Bonds6

About (3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid

(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid (PubChem CID 87598523) has the molecular formula C8H15O4P and a molecular weight of 206.18 g/mol. Its IUPAC name is (3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid
PubChem CID87598523
Molecular FormulaC8H15O4P
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CC(=O)CC1CC1
InChIInChI=1S/C8H15O4P/c1-2-12-13(10,11)6-8(9)5-7-3-4-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyAWSZNFGRNHXACR-UHFFFAOYSA-N
XLogP1.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
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 (3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid?
The IUPAC name of (3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid (CID 87598523) is (3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid.
What is the SMILES notation for (3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid?
The canonical SMILES for (3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid is CCOP(=O)(O)CC(=O)CC1CC1.
What is the InChIKey of (3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid?
The InChIKey is AWSZNFGRNHXACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O4P/c1-2-12-13(10,11)6-8(9)5-7-3-4-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of (3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid?
(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid has a molecular weight of 206.18 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid is sourced from PubChem (CID 87598523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).