5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid

C12H18O3S — CID 62942751

IUPAC5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid
SMILESCCc1ccc(C(O)CC(C)CC(=O)O)s1
InChIInChI=1S/C12H18O3S/c1-3-9-4-5-11(16-9)10(13)6-8(2)7-12(14)15/h4-5,8,10,13H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyNMPSGYDXEISWLQ-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.84
Rot. Bonds6

About 5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid

5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid (PubChem CID 62942751) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid
PubChem CID62942751
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid
SMILESCCc1ccc(C(O)CC(C)CC(=O)O)s1
InChIInChI=1S/C12H18O3S/c1-3-9-4-5-11(16-9)10(13)6-8(2)7-12(14)15/h4-5,8,10,13H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyNMPSGYDXEISWLQ-UHFFFAOYSA-N
XLogP2.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 61100350
2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63896090
1-(5-ethylthiophen-2-yl)dodecan-1-ol
CID 65426188
5-(2,5-dibromothiophen-3-yl)-5-hydroxy-3-methylpentanoic acid
CID 62942411
3-[(5-ethylthiophen-2-yl)methylsulfinyl]butanoic acid
CID 66113932
2-chloro-2-(5-ethylthiophen-2-yl)-N-propan-2-ylacetamide
CID 62319045
2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol
CID 65187875
2-[1-(5-ethylthiophen-2-yl)ethylamino]-N-methylpropanamide
CID 61464605
1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol
CID 83929457
5-(5-ethylthiophen-2-yl)hexan-2-one
CID 83929357
[1-(5-ethylthiophen-2-yl)-3-methylpentyl]hydrazine
CID 105298469

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid (CID 62942751) is 5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid is CCc1ccc(C(O)CC(C)CC(=O)O)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid?
The InChIKey is NMPSGYDXEISWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-3-9-4-5-11(16-9)10(13)6-8(2)7-12(14)15/h4-5,8,10,13H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid?
5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid is sourced from PubChem (CID 62942751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).