2-(5-methylthiophen-2-yl)hexan-2-ol

C11H18OS — CID 114910500

IUPAC2-(5-methylthiophen-2-yl)hexan-2-ol
SMILESCCCCC(C)(O)c1ccc(C)s1
InChIInChI=1S/C11H18OS/c1-4-5-8-11(3,12)10-7-6-9(2)13-10/h6-7,12H,4-5,8H2,1-3H3
InChIKeyQVOWWTTWDKVYKA-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.45
Rot. Bonds4

About 2-(5-methylthiophen-2-yl)hexan-2-ol

2-(5-methylthiophen-2-yl)hexan-2-ol (PubChem CID 114910500) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)hexan-2-ol.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)hexan-2-ol
PubChem CID114910500
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-(5-methylthiophen-2-yl)hexan-2-ol
SMILESCCCCC(C)(O)c1ccc(C)s1
InChIInChI=1S/C11H18OS/c1-4-5-8-11(3,12)10-7-6-9(2)13-10/h6-7,12H,4-5,8H2,1-3H3
InChIKeyQVOWWTTWDKVYKA-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)hexan-2-ol?
The IUPAC name of 2-(5-methylthiophen-2-yl)hexan-2-ol (CID 114910500) is 2-(5-methylthiophen-2-yl)hexan-2-ol.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)hexan-2-ol?
The canonical SMILES for 2-(5-methylthiophen-2-yl)hexan-2-ol is CCCCC(C)(O)c1ccc(C)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)hexan-2-ol?
The InChIKey is QVOWWTTWDKVYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-4-5-8-11(3,12)10-7-6-9(2)13-10/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of 2-(5-methylthiophen-2-yl)hexan-2-ol?
2-(5-methylthiophen-2-yl)hexan-2-ol has a molecular weight of 198.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)hexan-2-ol is sourced from PubChem (CID 114910500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).