8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid

C17H32O2 — CID 14345320

IUPAC8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
SMILESCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O
InChIInChI=1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16+/m0/s1
InChIKeyMUZYOAHCGSIXJH-JKSUJKDBSA-N
MW268.44 g/mol
LogP5.41
Rot. Bonds13

About 8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid

8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid (PubChem CID 14345320) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid.

Molecular Properties

Compound Name8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
PubChem CID14345320
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
SMILESCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O
InChIInChI=1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16+/m0/s1
InChIKeyMUZYOAHCGSIXJH-JKSUJKDBSA-N
XLogP5.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.41
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

10-(2-butylcyclopropyl)decanoic acid
CID 71374776
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
7-(4-octyloxolan-3-yl)heptanoic acid
CID 53463626
2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
CID 91607184
10-[(1R,2S)-2-hexylcyclopropyl]decanamide
CID 90478669
11-(2-hexylcyclopropyl)undecan-2-one
CID 20746928
8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535
3-[bis[8-(2-octylcyclopropyl)octyl]amino]propanoic acid
CID 129218068
acetic acid;2-(2-octylcyclopropyl)acetic acid
CID 67849608
8-[3-(7-carboxyheptyl)-2-heptyl-4-hexylcyclohexyl]octanoic acid;methanediol
CID 91189495
henicosane;tetracontanoic acid
CID 175935348
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of 8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid?
The IUPAC name of 8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid (CID 14345320) is 8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid.
What is the SMILES notation for 8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid?
The canonical SMILES for 8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid is CCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O.
What is the InChIKey of 8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid?
The InChIKey is MUZYOAHCGSIXJH-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16+/m0/s1.
What are the key properties of 8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid?
8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid has a molecular weight of 268.44 g/mol, XLogP of 5.41, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid is sourced from PubChem (CID 14345320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).