1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol

C18H32OS — CID 65428689

IUPAC1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)c1cc(C)sc1C
InChIInChI=1S/C18H32OS/c1-4-5-6-7-8-9-10-11-12-13-18(19)17-14-15(2)20-16(17)3/h14,18-19H,4-13H2,1-3H3
InChIKeyDKXKWZKGFNJEKM-UHFFFAOYSA-N
MW296.52 g/mol
LogP6.32
Rot. Bonds11

About 1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol

1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol (PubChem CID 65428689) has the molecular formula C18H32OS and a molecular weight of 296.52 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol
PubChem CID65428689
Molecular FormulaC18H32OS
Molecular Weight296.52 g/mol
Exact Mass296.22
IUPAC Name1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)c1cc(C)sc1C
InChIInChI=1S/C18H32OS/c1-4-5-6-7-8-9-10-11-12-13-18(19)17-14-15(2)20-16(17)3/h14,18-19H,4-13H2,1-3H3
InChIKeyDKXKWZKGFNJEKM-UHFFFAOYSA-N
XLogP6.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 56.32
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-(2,5-dimethylthiophen-3-yl)nonan-1-ol
CID 65149747
1-(5-bromo-2-methylthiophen-3-yl)heptan-1-ol
CID 114753433
1-(2,5-dimethylthiophen-3-yl)-3-methylbutan-1-ol
CID 61088727
3-(1-chloro-2-ethylhexyl)-2,5-dimethylthiophene
CID 63432275
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
1-(5-bromo-2-methylphenyl)octan-1-ol
CID 115783049
1-(5-bromo-2-methylphenyl)decan-1-ol
CID 115782829
6-amino-6-(2,5-dimethylthiophen-3-yl)hexanamide
CID 60862006
1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol
CID 68811128
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol (CID 65428689) is 1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol is CCCCCCCCCCCC(O)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol?
The InChIKey is DKXKWZKGFNJEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OS/c1-4-5-6-7-8-9-10-11-12-13-18(19)17-14-15(2)20-16(17)3/h14,18-19H,4-13H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol?
1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol has a molecular weight of 296.52 g/mol, XLogP of 6.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)dodecan-1-ol is sourced from PubChem (CID 65428689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).