(1,2-diethylcyclopentanecarbonyl)phosphonic acid

C10H19O4P — CID 57348632

IUPAC(1,2-diethylcyclopentanecarbonyl)phosphonic acid
SMILESCCC1CCCC1(CC)C(=O)P(=O)(O)O
InChIInChI=1S/C10H19O4P/c1-3-8-6-5-7-10(8,4-2)9(11)15(12,13)14/h8H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyINDQZYLKFFPNNB-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.30
Rot. Bonds4

About (1,2-diethylcyclopentanecarbonyl)phosphonic acid

(1,2-diethylcyclopentanecarbonyl)phosphonic acid (PubChem CID 57348632) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is (1,2-diethylcyclopentanecarbonyl)phosphonic acid.

Molecular Properties

Compound Name(1,2-diethylcyclopentanecarbonyl)phosphonic acid
PubChem CID57348632
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name(1,2-diethylcyclopentanecarbonyl)phosphonic acid
SMILESCCC1CCCC1(CC)C(=O)P(=O)(O)O
InChIInChI=1S/C10H19O4P/c1-3-8-6-5-7-10(8,4-2)9(11)15(12,13)14/h8H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyINDQZYLKFFPNNB-UHFFFAOYSA-N
XLogP2.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,2-diethylcyclohexyl) dihydrogen phosphate
CID 67296189
bis(1,2-diethylcyclohexyl) hydrogen phosphate
CID 67296328
alumane;1,2-diethylcyclopentan-1-ol
CID 174746701
2-ethyl-1-hydroxycyclopentane-1-sulfonic acid
CID 103574067
1-[2-(aminomethyl)-1-ethylcyclopentyl]ethenamine;ethane
CID 177036743
2-(2-ethyl-1-hydroxycyclopentyl)acetaldehyde
CID 114795390
1,1,2,2,3-pentaethylcyclohexane
CID 54223237
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
1,2-diethylcyclohexane-1,4-dicarboxylic acid
CID 67649283
2-(1,2-diethylcyclohexyl)propanedioic acid
CID 69475153
2-ethyl-1-fluoro-N-methylcyclopentan-1-amine
CID 171512621
2-(2-methoxyethyl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79581865

Frequently Asked Questions

What is the IUPAC name of (1,2-diethylcyclopentanecarbonyl)phosphonic acid?
The IUPAC name of (1,2-diethylcyclopentanecarbonyl)phosphonic acid (CID 57348632) is (1,2-diethylcyclopentanecarbonyl)phosphonic acid.
What is the SMILES notation for (1,2-diethylcyclopentanecarbonyl)phosphonic acid?
The canonical SMILES for (1,2-diethylcyclopentanecarbonyl)phosphonic acid is CCC1CCCC1(CC)C(=O)P(=O)(O)O.
What is the InChIKey of (1,2-diethylcyclopentanecarbonyl)phosphonic acid?
The InChIKey is INDQZYLKFFPNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-3-8-6-5-7-10(8,4-2)9(11)15(12,13)14/h8H,3-7H2,1-2H3,(H2,12,13,14).
What are the key properties of (1,2-diethylcyclopentanecarbonyl)phosphonic acid?
(1,2-diethylcyclopentanecarbonyl)phosphonic acid has a molecular weight of 234.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-diethylcyclopentanecarbonyl)phosphonic acid is sourced from PubChem (CID 57348632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).