(3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate

C15H18O4S2 — CID 123706785

IUPAC(3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate
SMILESCOC(CO)COC(=O)C1(c2cc3sc(C)cc3s2)CC1
InChIInChI=1S/C15H18O4S2/c1-9-5-11-12(20-9)6-13(21-11)15(3-4-15)14(17)19-8-10(7-16)18-2/h5-6,10,16H,3-4,7-8H2,1-2H3
InChIKeyDKQJQFRAANDSKL-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.85
Rot. Bonds6

About (3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate

(3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate (PubChem CID 123706785) has the molecular formula C15H18O4S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate
PubChem CID123706785
Molecular FormulaC15H18O4S2
Molecular Weight326.44 g/mol
Exact Mass326.06
IUPAC Name(3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate
SMILESCOC(CO)COC(=O)C1(c2cc3sc(C)cc3s2)CC1
InChIInChI=1S/C15H18O4S2/c1-9-5-11-12(20-9)6-13(21-11)15(3-4-15)14(17)19-8-10(7-16)18-2/h5-6,10,16H,3-4,7-8H2,1-2H3
InChIKeyDKQJQFRAANDSKL-UHFFFAOYSA-N
XLogP2.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate?
The IUPAC name of (3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate (CID 123706785) is (3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for (3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate?
The canonical SMILES for (3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate is COC(CO)COC(=O)C1(c2cc3sc(C)cc3s2)CC1.
What is the InChIKey of (3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate?
The InChIKey is DKQJQFRAANDSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S2/c1-9-5-11-12(20-9)6-13(21-11)15(3-4-15)14(17)19-8-10(7-16)18-2/h5-6,10,16H,3-4,7-8H2,1-2H3.
What are the key properties of (3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate?
(3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methoxypropyl) 1-(2-methylthieno[3,2-b]thiophen-5-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 123706785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).