2-methyl-6-thiophen-2-ylhexan-2-ol

C11H18OS — CID 96656971

IUPAC2-methyl-6-thiophen-2-ylhexan-2-ol
SMILESCC(C)(O)CCCCc1cccs1
InChIInChI=1S/C11H18OS/c1-11(2,12)8-4-3-6-10-7-5-9-13-10/h5,7,9,12H,3-4,6,8H2,1-2H3
InChIKeyCSQLLSPSMIGRTF-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.23
Rot. Bonds5

About 2-methyl-6-thiophen-2-ylhexan-2-ol

2-methyl-6-thiophen-2-ylhexan-2-ol (PubChem CID 96656971) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-methyl-6-thiophen-2-ylhexan-2-ol.

Molecular Properties

Compound Name2-methyl-6-thiophen-2-ylhexan-2-ol
PubChem CID96656971
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-methyl-6-thiophen-2-ylhexan-2-ol
SMILESCC(C)(O)CCCCc1cccs1
InChIInChI=1S/C11H18OS/c1-11(2,12)8-4-3-6-10-7-5-9-13-10/h5,7,9,12H,3-4,6,8H2,1-2H3
InChIKeyCSQLLSPSMIGRTF-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.23
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

2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
2,2-dimethyl-5-thiophen-2-ylpentanoic acid
CID 10846225
10-thiophen-2-yldecan-1-ol
CID 22992199
ethane;2-pentylthiophene
CID 143883800
3-thiophen-2-ylpropan-1-ol
CID 13109866
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
methane;2-undecylthiophene
CID 175504380
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol
CID 65145168
2-(4-fluorobutyl)thiophene
CID 67851736

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-thiophen-2-ylhexan-2-ol?
The IUPAC name of 2-methyl-6-thiophen-2-ylhexan-2-ol (CID 96656971) is 2-methyl-6-thiophen-2-ylhexan-2-ol.
What is the SMILES notation for 2-methyl-6-thiophen-2-ylhexan-2-ol?
The canonical SMILES for 2-methyl-6-thiophen-2-ylhexan-2-ol is CC(C)(O)CCCCc1cccs1.
What is the InChIKey of 2-methyl-6-thiophen-2-ylhexan-2-ol?
The InChIKey is CSQLLSPSMIGRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-11(2,12)8-4-3-6-10-7-5-9-13-10/h5,7,9,12H,3-4,6,8H2,1-2H3.
What are the key properties of 2-methyl-6-thiophen-2-ylhexan-2-ol?
2-methyl-6-thiophen-2-ylhexan-2-ol has a molecular weight of 198.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-thiophen-2-ylhexan-2-ol is sourced from PubChem (CID 96656971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).