2-(2-hexylcyclopropyl)acetic acid

C11H20O2 — CID 543595

IUPAC2-(2-hexylcyclopropyl)acetic acid
SMILESCCCCCCC1CC1CC(=O)O
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyDSMAUFFXECFFMC-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds7

About 2-(2-hexylcyclopropyl)acetic acid

2-(2-hexylcyclopropyl)acetic acid (PubChem CID 543595) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(2-hexylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(2-hexylcyclopropyl)acetic acid
PubChem CID543595
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(2-hexylcyclopropyl)acetic acid
SMILESCCCCCCC1CC1CC(=O)O
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyDSMAUFFXECFFMC-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hexylcyclopropyl)acetic acid?
The IUPAC name of 2-(2-hexylcyclopropyl)acetic acid (CID 543595) is 2-(2-hexylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(2-hexylcyclopropyl)acetic acid?
The canonical SMILES for 2-(2-hexylcyclopropyl)acetic acid is CCCCCCC1CC1CC(=O)O.
What is the InChIKey of 2-(2-hexylcyclopropyl)acetic acid?
The InChIKey is DSMAUFFXECFFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(2-hexylcyclopropyl)acetic acid?
2-(2-hexylcyclopropyl)acetic acid has a molecular weight of 184.28 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexylcyclopropyl)acetic acid is sourced from PubChem (CID 543595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).