(E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid

C23H36O3S — CID 143860475

IUPAC(E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid
SMILESCCC1(C(O)C/C=C/C2CCCC2)CCC1.CCCc1ccc(C(=O)O)s1
InChIInChI=1S/C15H26O.C8H10O2S/c1-2-15(11-6-12-15)14(16)10-5-9-13-7-3-4-8-13;1-2-3-6-4-5-7(11-6)8(9)10/h5,9,13-14,16H,2-4,6-8,10-12H2,1H3;4-5H,2-3H2,1H3,(H,9,10)/b9-5+;
InChIKeyGSWNQTWZQYTVOX-SZKNIZGXSA-N
MW392.61 g/mol
LogP6.46
Rot. Bonds8

About (E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid

(E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid (PubChem CID 143860475) has the molecular formula C23H36O3S and a molecular weight of 392.61 g/mol. Its IUPAC name is (E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name(E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid
PubChem CID143860475
Molecular FormulaC23H36O3S
Molecular Weight392.61 g/mol
Exact Mass392.24
IUPAC Name(E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid
SMILESCCC1(C(O)C/C=C/C2CCCC2)CCC1.CCCc1ccc(C(=O)O)s1
InChIInChI=1S/C15H26O.C8H10O2S/c1-2-15(11-6-12-15)14(16)10-5-9-13-7-3-4-8-13;1-2-3-6-4-5-7(11-6)8(9)10/h5,9,13-14,16H,2-4,6-8,10-12H2,1H3;4-5H,2-3H2,1H3,(H,9,10)/b9-5+;
InChIKeyGSWNQTWZQYTVOX-SZKNIZGXSA-N
XLogP6.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.61
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-[(E)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]cyclopentane-1-carbonitrile;5-propylthiophene-2-carboxylic acid
CID 143694880
5-[3-[(1S,3R)-3-chloro-2-[(E)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]cyclopentyl]propyl]thiophene-2-carboxylic acid
CID 58319515
5-[3-[(1S,2R,3R,5R)-5-cyano-2-[4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylic acid
CID 66909349
4-[(1R,2S)-2-chlorocyclopentyl]-1-(1-ethylcyclobutyl)butan-1-ol;5-propylthiophene-2-carboxylic acid
CID 143860428
(1S)-2-[4-(1-ethylcyclobutyl)-4-hydroxybutyl]cyclopentane-1-carbonitrile;5-propylthiophene-2-carboxylic acid
CID 143860463
methyl 5-[3-[(1S,2R,3R,5R)-5-cyano-2-[(E)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
CID 67244079
methyl 5-[3-[(1S,2R,3R,5R)-5-cyano-2-[4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-3-hydroxycyclopentyl]propyl]thiophene-2-carboxylate
CID 66909358
4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid
CID 143860506
4-[2-[2-[(E,4S)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 59788311
methyl 4-[[(2S)-2-[(E)-4-(1-ethylcyclobutyl)-4-hydroxybut-1-enyl]-3-hydroxy-5-oxocyclopentyl]sulfanylmethyl]benzoate
CID 59962741
cis-(1R,3S)-1-chloro-3-oct-7-enylcyclopentane;5-propylthiophene-2-carboxylic acid
CID 143803626
4-[[(2S)-3-hydroxy-2-[4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]sulfanylmethyl]benzoic acid
CID 90865592

Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid?
The IUPAC name of (E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid (CID 143860475) is (E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid.
What is the SMILES notation for (E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid?
The canonical SMILES for (E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid is CCC1(C(O)C/C=C/C2CCCC2)CCC1.CCCc1ccc(C(=O)O)s1.
What is the InChIKey of (E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid?
The InChIKey is GSWNQTWZQYTVOX-SZKNIZGXSA-N. The full InChI is InChI=1S/C15H26O.C8H10O2S/c1-2-15(11-6-12-15)14(16)10-5-9-13-7-3-4-8-13;1-2-3-6-4-5-7(11-6)8(9)10/h5,9,13-14,16H,2-4,6-8,10-12H2,1H3;4-5H,2-3H2,1H3,(H,9,10)/b9-5+;.
What are the key properties of (E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid?
(E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid has a molecular weight of 392.61 g/mol, XLogP of 6.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-cyclopentyl-1-(1-ethylcyclobutyl)but-3-en-1-ol;5-propylthiophene-2-carboxylic acid is sourced from PubChem (CID 143860475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).