2-[(1R,2R)-2-hexylcyclopropyl]acetic acid

C11H20O2 — CID 91607184

IUPAC2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
SMILESCCCCCC[C@@H]1C[C@@H]1CC(=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)/t9-,10-/m1/s1
InChIKeyDSMAUFFXECFFMC-NXEZZACHSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds7

About 2-[(1R,2R)-2-hexylcyclopropyl]acetic acid

2-[(1R,2R)-2-hexylcyclopropyl]acetic acid (PubChem CID 91607184) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(1R,2R)-2-hexylcyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
PubChem CID91607184
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
SMILESCCCCCC[C@@H]1C[C@@H]1CC(=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)/t9-,10-/m1/s1
InChIKeyDSMAUFFXECFFMC-NXEZZACHSA-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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Related Compounds

acetic acid;2-(2-octylcyclopropyl)acetic acid
CID 67849608
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
11-(2-hexylcyclopropyl)undecan-2-one
CID 20746928
1-propyl-2-undecylcyclopropane
CID 123636027
3-[bis[8-(2-octylcyclopropyl)octyl]amino]propanoic acid
CID 129218068
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-hexylcyclopropyl]acetic acid?
The IUPAC name of 2-[(1R,2R)-2-hexylcyclopropyl]acetic acid (CID 91607184) is 2-[(1R,2R)-2-hexylcyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R)-2-hexylcyclopropyl]acetic acid?
The canonical SMILES for 2-[(1R,2R)-2-hexylcyclopropyl]acetic acid is CCCCCC[C@@H]1C[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1R,2R)-2-hexylcyclopropyl]acetic acid?
The InChIKey is DSMAUFFXECFFMC-NXEZZACHSA-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)/t9-,10-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-hexylcyclopropyl]acetic acid?
2-[(1R,2R)-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-[(1R,2R)-2-hexylcyclopropyl]acetic acid is sourced from PubChem (CID 91607184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).