decyl 2-thiophen-2-ylacetate

C16H26O2S — CID 566129

IUPACdecyl 2-thiophen-2-ylacetate
SMILESCCCCCCCCCCOC(=O)Cc1cccs1
InChIInChI=1S/C16H26O2S/c1-2-3-4-5-6-7-8-9-12-18-16(17)14-15-11-10-13-19-15/h10-11,13H,2-9,12,14H2,1H3
InChIKeyHBUFWQCKTIEJIQ-UHFFFAOYSA-N
MW282.45 g/mol
LogP4.97
Rot. Bonds11

About decyl 2-thiophen-2-ylacetate

decyl 2-thiophen-2-ylacetate (PubChem CID 566129) has the molecular formula C16H26O2S and a molecular weight of 282.45 g/mol. Its IUPAC name is decyl 2-thiophen-2-ylacetate.

Molecular Properties

Compound Namedecyl 2-thiophen-2-ylacetate
PubChem CID566129
Molecular FormulaC16H26O2S
Molecular Weight282.45 g/mol
Exact Mass282.17
IUPAC Namedecyl 2-thiophen-2-ylacetate
SMILESCCCCCCCCCCOC(=O)Cc1cccs1
InChIInChI=1S/C16H26O2S/c1-2-3-4-5-6-7-8-9-12-18-16(17)14-15-11-10-13-19-15/h10-11,13H,2-9,12,14H2,1H3
InChIKeyHBUFWQCKTIEJIQ-UHFFFAOYSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfonylethyl 2-thiophen-2-ylacetate
CID 142757296
thiophen-2-ylmethyl dodecanoate
CID 139970081
[3-(2-thiophen-2-ylacetyl)oxyphenyl] octanoate
CID 91712233
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
heptyl thiophene-2-carboxylate
CID 574115
ethyl 2-(thionin-2-yl)acetate
CID 174897632
butyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7798928
octyl 2-(2-hydroxyphenyl)acetate
CID 174380401
2-(hexoxymethyl)thiophene
CID 57182867
hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704818
decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704823
octyl 2-phenylacetate;oxophosphanium
CID 160645862

Frequently Asked Questions

What is the IUPAC name of decyl 2-thiophen-2-ylacetate?
The IUPAC name of decyl 2-thiophen-2-ylacetate (CID 566129) is decyl 2-thiophen-2-ylacetate.
What is the SMILES notation for decyl 2-thiophen-2-ylacetate?
The canonical SMILES for decyl 2-thiophen-2-ylacetate is CCCCCCCCCCOC(=O)Cc1cccs1.
What is the InChIKey of decyl 2-thiophen-2-ylacetate?
The InChIKey is HBUFWQCKTIEJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2S/c1-2-3-4-5-6-7-8-9-12-18-16(17)14-15-11-10-13-19-15/h10-11,13H,2-9,12,14H2,1H3.
What are the key properties of decyl 2-thiophen-2-ylacetate?
decyl 2-thiophen-2-ylacetate has a molecular weight of 282.45 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-thiophen-2-ylacetate is sourced from PubChem (CID 566129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).