1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol

C13H22O2S — CID 103028467

IUPAC1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCCc1ccsc1C(O)CCC(C)(C)OC
InChIInChI=1S/C13H22O2S/c1-5-10-7-9-16-12(10)11(14)6-8-13(2,3)15-4/h7,9,11,14H,5-6,8H2,1-4H3
InChIKeyZVIJVDLSFKRFMH-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.55
Rot. Bonds6

About 1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol

1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028467) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028467
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCCc1ccsc1C(O)CCC(C)(C)OC
InChIInChI=1S/C13H22O2S/c1-5-10-7-9-16-12(10)11(14)6-8-13(2,3)15-4/h7,9,11,14H,5-6,8H2,1-4H3
InChIKeyZVIJVDLSFKRFMH-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol (CID 103028467) is 1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol is CCc1ccsc1C(O)CCC(C)(C)OC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is ZVIJVDLSFKRFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c1-5-10-7-9-16-12(10)11(14)6-8-13(2,3)15-4/h7,9,11,14H,5-6,8H2,1-4H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol?
1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 242.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).