2,2-dimethyl-5-thiophen-2-ylpentanoic acid

C11H16O2S — CID 10846225

IUPAC2,2-dimethyl-5-thiophen-2-ylpentanoic acid
SMILESCC(C)(CCCc1cccs1)C(=O)O
InChIInChI=1S/C11H16O2S/c1-11(2,10(12)13)7-3-5-9-6-4-8-14-9/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyZYTBLYYNJWSVLV-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.18
Rot. Bonds5

About 2,2-dimethyl-5-thiophen-2-ylpentanoic acid

2,2-dimethyl-5-thiophen-2-ylpentanoic acid (PubChem CID 10846225) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2,2-dimethyl-5-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-5-thiophen-2-ylpentanoic acid
PubChem CID10846225
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2,2-dimethyl-5-thiophen-2-ylpentanoic acid
SMILESCC(C)(CCCc1cccs1)C(=O)O
InChIInChI=1S/C11H16O2S/c1-11(2,10(12)13)7-3-5-9-6-4-8-14-9/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyZYTBLYYNJWSVLV-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254843
2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891
2-methyl-2-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 61261493
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid
CID 55123769
2-[tert-butyl(3-thiophen-2-ylpropyl)amino]-2-oxoacetic acid
CID 70791155
3-thiophen-2-ylpropan-1-ol
CID 13109866
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2,2-dimethyl-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
CID 15667459
4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157089
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-thiophen-2-ylpentanoic acid?
The IUPAC name of 2,2-dimethyl-5-thiophen-2-ylpentanoic acid (CID 10846225) is 2,2-dimethyl-5-thiophen-2-ylpentanoic acid.
What is the SMILES notation for 2,2-dimethyl-5-thiophen-2-ylpentanoic acid?
The canonical SMILES for 2,2-dimethyl-5-thiophen-2-ylpentanoic acid is CC(C)(CCCc1cccs1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-5-thiophen-2-ylpentanoic acid?
The InChIKey is ZYTBLYYNJWSVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-11(2,10(12)13)7-3-5-9-6-4-8-14-9/h4,6,8H,3,5,7H2,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-5-thiophen-2-ylpentanoic acid?
2,2-dimethyl-5-thiophen-2-ylpentanoic acid has a molecular weight of 212.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 10846225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).