(5-methylthiophen-2-yl)methyl but-3-enoate

C10H12O2S — CID 132533732

IUPAC(5-methylthiophen-2-yl)methyl but-3-enoate
SMILESC=CCC(=O)OCc1ccc(C)s1
InChIInChI=1S/C10H12O2S/c1-3-4-10(11)12-7-9-6-5-8(2)13-9/h3,5-6H,1,4,7H2,2H3
InChIKeyFZCYKKURCUIHJX-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.68
Rot. Bonds4

About (5-methylthiophen-2-yl)methyl but-3-enoate

(5-methylthiophen-2-yl)methyl but-3-enoate (PubChem CID 132533732) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)methyl but-3-enoate.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)methyl but-3-enoate
PubChem CID132533732
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name(5-methylthiophen-2-yl)methyl but-3-enoate
SMILESC=CCC(=O)OCc1ccc(C)s1
InChIInChI=1S/C10H12O2S/c1-3-4-10(11)12-7-9-6-5-8(2)13-9/h3,5-6H,1,4,7H2,2H3
InChIKeyFZCYKKURCUIHJX-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethyl)-5-methylthiophene
CID 15121011
2-methyl-5-(phosphorosooxymethyl)thiophene
CID 69098065
prop-2-enyl N-(5-methylthiophen-2-yl)carbamate
CID 21064928
2-ethyl-5-methylthiophene;formic acid
CID 143679762
2-(5-methylthiophen-2-yl)acetohydrazide
CID 130978061
1-hydroxy-1-[2-[(5-methylthiophen-2-yl)methoxy]propyl]urea
CID 19799218
2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide
CID 18779056
2-amino-2-methyl-3-(5-methylthiophen-2-yl)propanoic acid
CID 67184576
benzyl but-3-enoate;1-phenylprop-2-en-1-ol
CID 68773342
[5-(5-but-3-en-1-ynylthiophen-2-yl)thiophen-2-yl]methyl acetate
CID 5315563
methyl 2-[5-[[(5-methylthiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 82894584
methyl 3-[(5-methylthiophen-2-yl)methylamino]propanoate
CID 43139690

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)methyl but-3-enoate?
The IUPAC name of (5-methylthiophen-2-yl)methyl but-3-enoate (CID 132533732) is (5-methylthiophen-2-yl)methyl but-3-enoate.
What is the SMILES notation for (5-methylthiophen-2-yl)methyl but-3-enoate?
The canonical SMILES for (5-methylthiophen-2-yl)methyl but-3-enoate is C=CCC(=O)OCc1ccc(C)s1.
What is the InChIKey of (5-methylthiophen-2-yl)methyl but-3-enoate?
The InChIKey is FZCYKKURCUIHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-3-4-10(11)12-7-9-6-5-8(2)13-9/h3,5-6H,1,4,7H2,2H3.
What are the key properties of (5-methylthiophen-2-yl)methyl but-3-enoate?
(5-methylthiophen-2-yl)methyl but-3-enoate has a molecular weight of 196.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)methyl but-3-enoate is sourced from PubChem (CID 132533732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).