4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol

C14H24O2S — CID 116752420

IUPAC4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol
SMILESCCOC(CC)(CC)C(O)CCc1cccs1
InChIInChI=1S/C14H24O2S/c1-4-14(5-2,16-6-3)13(15)10-9-12-8-7-11-17-12/h7-8,11,13,15H,4-6,9-10H2,1-3H3
InChIKeySUIZJSFXMSDZFQ-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.64
Rot. Bonds8

About 4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol

4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol (PubChem CID 116752420) has the molecular formula C14H24O2S and a molecular weight of 256.41 g/mol. Its IUPAC name is 4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol
PubChem CID116752420
Molecular FormulaC14H24O2S
Molecular Weight256.41 g/mol
Exact Mass256.15
IUPAC Name4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol
SMILESCCOC(CC)(CC)C(O)CCc1cccs1
InChIInChI=1S/C14H24O2S/c1-4-14(5-2,16-6-3)13(15)10-9-12-8-7-11-17-12/h7-8,11,13,15H,4-6,9-10H2,1-3H3
InChIKeySUIZJSFXMSDZFQ-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-4-methoxy-1-thiophen-2-ylhexan-3-ol
CID 116752710
4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol
CID 63773505
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
CID 115800483
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
8-thiophen-2-yloctan-4-ol
CID 64516293
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150040
1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol
CID 65146129
4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine
CID 116725711
1-(1-ethylcyclopentyl)-3-thiophen-2-ylpropan-1-ol
CID 115800364
4-N,4-N-diethyl-4-methyl-1-thiophen-2-ylhexane-3,4-diamine
CID 79068897

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol?
The IUPAC name of 4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol (CID 116752420) is 4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol is CCOC(CC)(CC)C(O)CCc1cccs1.
What is the InChIKey of 4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol?
The InChIKey is SUIZJSFXMSDZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2S/c1-4-14(5-2,16-6-3)13(15)10-9-12-8-7-11-17-12/h7-8,11,13,15H,4-6,9-10H2,1-3H3.
What are the key properties of 4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol?
4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol has a molecular weight of 256.41 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-ethyl-1-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 116752420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).