(4S)-4-cyclopent-3-en-1-ylhexanoic acid

C11H18O2 — CID 178083184

IUPAC(4S)-4-cyclopent-3-en-1-ylhexanoic acid
SMILESCC[C@@H](CCC(=O)O)C1CC=CC1
InChIInChI=1S/C11H18O2/c1-2-9(7-8-11(12)13)10-5-3-4-6-10/h3-4,9-10H,2,5-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyXBBQRSVBYAGJGD-VIFPVBQESA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds5

About (4S)-4-cyclopent-3-en-1-ylhexanoic acid

(4S)-4-cyclopent-3-en-1-ylhexanoic acid (PubChem CID 178083184) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4S)-4-cyclopent-3-en-1-ylhexanoic acid.

Molecular Properties

Compound Name(4S)-4-cyclopent-3-en-1-ylhexanoic acid
PubChem CID178083184
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4S)-4-cyclopent-3-en-1-ylhexanoic acid
SMILESCC[C@@H](CCC(=O)O)C1CC=CC1
InChIInChI=1S/C11H18O2/c1-2-9(7-8-11(12)13)10-5-3-4-6-10/h3-4,9-10H,2,5-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyXBBQRSVBYAGJGD-VIFPVBQESA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-heptan-4-ylcyclopentene
CID 168807124
4-[(2S,3S,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hexanoic acid
CID 129219743
4-cyclopropylheptadecanoic acid
CID 68637833
(4S)-4-hydroxyhexanoic acid
CID 14057564
3-ethylhexanedioic acid
CID 18477236
(4R)-4-(hydroxymethyl)hexanoic acid
CID 131845263
4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid
CID 79694270
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)pentanedioic acid
CID 60827716
methyl 5-cyclohexyl-2-oxoheptanoate
CID 11746744
(4S)-4-amino-4-cyclopropylbutanoic acid
CID 55291872
4-(bromomethyl)hexanoic acid
CID 88737518
4,6-dihydroxyoctanoic acid
CID 137380619

Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopent-3-en-1-ylhexanoic acid?
The IUPAC name of (4S)-4-cyclopent-3-en-1-ylhexanoic acid (CID 178083184) is (4S)-4-cyclopent-3-en-1-ylhexanoic acid.
What is the SMILES notation for (4S)-4-cyclopent-3-en-1-ylhexanoic acid?
The canonical SMILES for (4S)-4-cyclopent-3-en-1-ylhexanoic acid is CC[C@@H](CCC(=O)O)C1CC=CC1.
What is the InChIKey of (4S)-4-cyclopent-3-en-1-ylhexanoic acid?
The InChIKey is XBBQRSVBYAGJGD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18O2/c1-2-9(7-8-11(12)13)10-5-3-4-6-10/h3-4,9-10H,2,5-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (4S)-4-cyclopent-3-en-1-ylhexanoic acid?
(4S)-4-cyclopent-3-en-1-ylhexanoic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopent-3-en-1-ylhexanoic acid is sourced from PubChem (CID 178083184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).