methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate

C15H20O4S — CID 82894975

IUPACmethyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)C2C(C)OC(C)C2C)s1
InChIInChI=1S/C15H20O4S/c1-8-9(2)19-10(3)14(8)15(17)12-6-5-11(20-12)7-13(16)18-4/h5-6,8-10,14H,7H2,1-4H3
InChIKeyBSUWECLADUTPDN-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.71
Rot. Bonds4

About methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate

methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate (PubChem CID 82894975) has the molecular formula C15H20O4S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate
PubChem CID82894975
Molecular FormulaC15H20O4S
Molecular Weight296.39 g/mol
Exact Mass296.11
IUPAC Namemethyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(C(=O)C2C(C)OC(C)C2C)s1
InChIInChI=1S/C15H20O4S/c1-8-9(2)19-10(3)14(8)15(17)12-6-5-11(20-12)7-13(16)18-4/h5-6,8-10,14H,7H2,1-4H3
InChIKeyBSUWECLADUTPDN-UHFFFAOYSA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate (CID 82894975) is methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(C(=O)C2C(C)OC(C)C2C)s1.
What is the InChIKey of methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate?
The InChIKey is BSUWECLADUTPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4S/c1-8-9(2)19-10(3)14(8)15(17)12-6-5-11(20-12)7-13(16)18-4/h5-6,8-10,14H,7H2,1-4H3.
What are the key properties of methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate?
methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate has a molecular weight of 296.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2,4,5-trimethyloxolane-3-carbonyl)thiophen-2-yl]acetate is sourced from PubChem (CID 82894975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).