1-(5-ethylthiophen-2-yl)dodecan-1-ol

C18H32OS — CID 65426188

IUPAC1-(5-ethylthiophen-2-yl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)c1ccc(CC)s1
InChIInChI=1S/C18H32OS/c1-3-5-6-7-8-9-10-11-12-13-17(19)18-15-14-16(4-2)20-18/h14-15,17,19H,3-13H2,1-2H3
InChIKeyNKMSWTRRHKYRGZ-UHFFFAOYSA-N
MW296.52 g/mol
LogP6.26
Rot. Bonds12

About 1-(5-ethylthiophen-2-yl)dodecan-1-ol

1-(5-ethylthiophen-2-yl)dodecan-1-ol (PubChem CID 65426188) has the molecular formula C18H32OS and a molecular weight of 296.52 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)dodecan-1-ol.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)dodecan-1-ol
PubChem CID65426188
Molecular FormulaC18H32OS
Molecular Weight296.52 g/mol
Exact Mass296.22
IUPAC Name1-(5-ethylthiophen-2-yl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)c1ccc(CC)s1
InChIInChI=1S/C18H32OS/c1-3-5-6-7-8-9-10-11-12-13-17(19)18-15-14-16(4-2)20-18/h14-15,17,19H,3-13H2,1-2H3
InChIKeyNKMSWTRRHKYRGZ-UHFFFAOYSA-N
XLogP6.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethylthiophen-2-yl)undecylhydrazine
CID 105298310
2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63896090
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150040
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63896096
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
2-dodecyl-5-ethylthiophene
CID 528251
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720
1-(5-ethylthiophen-2-yl)decan-2-ylhydrazine
CID 105296454
2-(2,4-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893810
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 61101723

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)dodecan-1-ol?
The IUPAC name of 1-(5-ethylthiophen-2-yl)dodecan-1-ol (CID 65426188) is 1-(5-ethylthiophen-2-yl)dodecan-1-ol.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)dodecan-1-ol?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)dodecan-1-ol is CCCCCCCCCCCC(O)c1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)dodecan-1-ol?
The InChIKey is NKMSWTRRHKYRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OS/c1-3-5-6-7-8-9-10-11-12-13-17(19)18-15-14-16(4-2)20-18/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)dodecan-1-ol?
1-(5-ethylthiophen-2-yl)dodecan-1-ol has a molecular weight of 296.52 g/mol, XLogP of 6.26, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)dodecan-1-ol is sourced from PubChem (CID 65426188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).