2-(1-heptylcyclopentyl)oxyiminoacetic acid

C14H25NO3 — CID 57050934

IUPAC2-(1-heptylcyclopentyl)oxyiminoacetic acid
SMILESCCCCCCCC1(ON=CC(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-9-14(10-7-8-11-14)18-15-12-13(16)17/h12H,2-11H2,1H3,(H,16,17)
InChIKeyKREZCGZUFOJQQD-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.75
Rot. Bonds9

About 2-(1-heptylcyclopentyl)oxyiminoacetic acid

2-(1-heptylcyclopentyl)oxyiminoacetic acid (PubChem CID 57050934) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(1-heptylcyclopentyl)oxyiminoacetic acid.

Molecular Properties

Compound Name2-(1-heptylcyclopentyl)oxyiminoacetic acid
PubChem CID57050934
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(1-heptylcyclopentyl)oxyiminoacetic acid
SMILESCCCCCCCC1(ON=CC(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-2-3-4-5-6-9-14(10-7-8-11-14)18-15-12-13(16)17/h12H,2-11H2,1H3,(H,16,17)
InChIKeyKREZCGZUFOJQQD-UHFFFAOYSA-N
XLogP3.75
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(1-pentylcyclohexyl) butanedioate
CID 174843513
(1-pentylcyclohexyl) butanoate
CID 101311537
4-(1-hexylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
CID 141262482
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
(1-pentylcyclopentyl) 2,2-dimethylbutanoate
CID 118933720
trimethyl-(1-nonylcyclopropyl)oxysilane
CID 10923164
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
(1-octylcyclopropyl) octanoate
CID 21488075
2-tetradecyliminoacetic acid
CID 88692071
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-butyl-1-hydroperoxycyclohexane
CID 18362273

Frequently Asked Questions

What is the IUPAC name of 2-(1-heptylcyclopentyl)oxyiminoacetic acid?
The IUPAC name of 2-(1-heptylcyclopentyl)oxyiminoacetic acid (CID 57050934) is 2-(1-heptylcyclopentyl)oxyiminoacetic acid.
What is the SMILES notation for 2-(1-heptylcyclopentyl)oxyiminoacetic acid?
The canonical SMILES for 2-(1-heptylcyclopentyl)oxyiminoacetic acid is CCCCCCCC1(ON=CC(=O)O)CCCC1.
What is the InChIKey of 2-(1-heptylcyclopentyl)oxyiminoacetic acid?
The InChIKey is KREZCGZUFOJQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-4-5-6-9-14(10-7-8-11-14)18-15-12-13(16)17/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 2-(1-heptylcyclopentyl)oxyiminoacetic acid?
2-(1-heptylcyclopentyl)oxyiminoacetic acid has a molecular weight of 255.36 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-heptylcyclopentyl)oxyiminoacetic acid is sourced from PubChem (CID 57050934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).