methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate

C13H16O4S — CID 114824847

IUPACmethyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)C2COC(C)C2)s1
InChIInChI=1S/C13H16O4S/c1-8-5-9(7-17-8)13(15)11-4-3-10(18-11)6-12(14)16-2/h3-4,8-9H,5-7H2,1-2H3
InChIKeyULNLFWSYZSQFHB-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.07
Rot. Bonds4

About methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate

methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate (PubChem CID 114824847) has the molecular formula C13H16O4S and a molecular weight of 268.33 g/mol. Its IUPAC name is methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate
PubChem CID114824847
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Namemethyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)C2COC(C)C2)s1
InChIInChI=1S/C13H16O4S/c1-8-5-9(7-17-8)13(15)11-4-3-10(18-11)6-12(14)16-2/h3-4,8-9H,5-7H2,1-2H3
InChIKeyULNLFWSYZSQFHB-UHFFFAOYSA-N
XLogP2.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate (CID 114824847) is methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(C(=O)C2COC(C)C2)s1.
What is the InChIKey of methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate?
The InChIKey is ULNLFWSYZSQFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4S/c1-8-5-9(7-17-8)13(15)11-4-3-10(18-11)6-12(14)16-2/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate?
methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate has a molecular weight of 268.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(5-methyloxolane-3-carbonyl)thiophen-2-yl]acetate is sourced from PubChem (CID 114824847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).