(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone

C13H18O2S — CID 116747750

IUPAC(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone
SMILESCCOC1(C(=O)c2ccc(C)s2)CCCC1
InChIInChI=1S/C13H18O2S/c1-3-15-13(8-4-5-9-13)12(14)11-7-6-10(2)16-11/h6-7H,3-5,8-9H2,1-2H3
InChIKeyTTYIFMDSRQFMFE-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.59
Rot. Bonds4

About (1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone

(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone (PubChem CID 116747750) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone
PubChem CID116747750
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone
SMILESCCOC1(C(=O)c2ccc(C)s2)CCCC1
InChIInChI=1S/C13H18O2S/c1-3-15-13(8-4-5-9-13)12(14)11-7-6-10(2)16-11/h6-7H,3-5,8-9H2,1-2H3
InChIKeyTTYIFMDSRQFMFE-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone (CID 116747750) is (1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone is CCOC1(C(=O)c2ccc(C)s2)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is TTYIFMDSRQFMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-3-15-13(8-4-5-9-13)12(14)11-7-6-10(2)16-11/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of (1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone?
(1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 238.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 116747750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).