1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid

C15H24O5 — CID 155771087

IUPAC1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCCCCOCCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C15H24O5/c16-12(17)14(5-6-14)4-2-1-3-10-20-11-9-15(7-8-15)13(18)19/h1-11H2,(H,16,17)(H,18,19)
InChIKeyXSSOXECBJXPVKG-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.68
Rot. Bonds11

About 1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid

1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid (PubChem CID 155771087) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
PubChem CID155771087
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(CCCCCOCCC2(C(=O)O)CC2)CC1
InChIInChI=1S/C15H24O5/c16-12(17)14(5-6-14)4-2-1-3-10-20-11-9-15(7-8-15)13(18)19/h1-11H2,(H,16,17)(H,18,19)
InChIKeyXSSOXECBJXPVKG-UHFFFAOYSA-N
XLogP2.68
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid
CID 70523379
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-(2-cyclopropyloxyethyl)cyclopropane-1-carboxylic acid
CID 84765759
1-(2-ethoxyethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 65390385
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
1-[3-[3-(1-formyloxycyclopropyl)propoxy]propyl]cyclopropane-1-carboxylic acid
CID 155770785
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[12-(1-aminocyclopropyl)dodecyl]cyclopropane-1-carboxylic acid
CID 66828639
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid (CID 155771087) is 1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid is O=C(O)C1(CCCCCOCCC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid?
The InChIKey is XSSOXECBJXPVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c16-12(17)14(5-6-14)4-2-1-3-10-20-11-9-15(7-8-15)13(18)19/h1-11H2,(H,16,17)(H,18,19).
What are the key properties of 1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid?
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid has a molecular weight of 284.35 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 155771087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).