2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid

C9H10O4S — CID 117169356

IUPAC2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid
SMILESO=C(O)CC1COC(c2cccs2)O1
InChIInChI=1S/C9H10O4S/c10-8(11)4-6-5-12-9(13-6)7-2-1-3-14-7/h1-3,6,9H,4-5H2,(H,10,11)
InChIKeyKUGVJAGSMAKPMK-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.64
Rot. Bonds3

About 2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid

2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid (PubChem CID 117169356) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid
PubChem CID117169356
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid
SMILESO=C(O)CC1COC(c2cccs2)O1
InChIInChI=1S/C9H10O4S/c10-8(11)4-6-5-12-9(13-6)7-2-1-3-14-7/h1-3,6,9H,4-5H2,(H,10,11)
InChIKeyKUGVJAGSMAKPMK-UHFFFAOYSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-Trifluoro-3-(thiophen-2-ylmethoxy)butanoic acid
CID 63075388
Bis(thiophen-2-ylmethyl) oxirane-2,3-dicarboxylate
CID 13174265
3-(Thiophen-2-ylmethoxycarbonyl)oxirane-2-carboxylic acid
CID 13174300
Methyl 3-[2-(2-dioxolanyl)thiophene-3-yl]-3-thiapropionate
CID 15698034
3-(Thiophen-2-ylmethoxy)propanoic acid
CID 61523203
4-(Thiophen-2-ylmethoxy)butanoic acid
CID 61523284
2-Thiophen-2-yl-1,3-dioxane-4,6-dione
CID 67867713
2-[2-(1,3-Dioxolan-2-yl)thiophen-3-yl]sulfanylpropanoic acid
CID 67871088
[(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate
CID 135293009
3-Oxo-3-(thiophen-2-ylmethoxy)propanoic acid
CID 175412594
4-Methyl-2-thiophen-2-yl-1,3-dioxolane
CID 11708132
3-(1,3-Dioxolan-2-yl)thiophene-2-carboxylic acid
CID 24229593

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid?
The IUPAC name of 2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid (CID 117169356) is 2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid.
What is the SMILES notation for 2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid?
The canonical SMILES for 2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid is O=C(O)CC1COC(c2cccs2)O1.
What is the InChIKey of 2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid?
The InChIKey is KUGVJAGSMAKPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c10-8(11)4-6-5-12-9(13-6)7-2-1-3-14-7/h1-3,6,9H,4-5H2,(H,10,11).
What are the key properties of 2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid?
2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid has a molecular weight of 214.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-yl-1,3-dioxolan-4-yl)acetic acid is sourced from PubChem (CID 117169356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).