2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol

C11H16OS — CID 79333969

IUPAC2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol
SMILESCCc1ccsc1C1(O)CC1CC
InChIInChI=1S/C11H16OS/c1-3-8-5-6-13-10(8)11(12)7-9(11)4-2/h5-6,9,12H,3-4,7H2,1-2H3
InChIKeyPKOQFKRZXPEGEO-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.93
Rot. Bonds3

About 2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol

2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol (PubChem CID 79333969) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol
PubChem CID79333969
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol
SMILESCCc1ccsc1C1(O)CC1CC
InChIInChI=1S/C11H16OS/c1-3-8-5-6-13-10(8)11(12)7-9(11)4-2/h5-6,9,12H,3-4,7H2,1-2H3
InChIKeyPKOQFKRZXPEGEO-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol?
The IUPAC name of 2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol (CID 79333969) is 2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol.
What is the SMILES notation for 2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol?
The canonical SMILES for 2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol is CCc1ccsc1C1(O)CC1CC.
What is the InChIKey of 2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol?
The InChIKey is PKOQFKRZXPEGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-3-8-5-6-13-10(8)11(12)7-9(11)4-2/h5-6,9,12H,3-4,7H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol?
2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol has a molecular weight of 196.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol is sourced from PubChem (CID 79333969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).