2-methyl-6-thiophen-2-ylhexan-3-ol

C11H18OS — CID 63774630

IUPAC2-methyl-6-thiophen-2-ylhexan-3-ol
SMILESCC(C)C(O)CCCc1cccs1
InChIInChI=1S/C11H18OS/c1-9(2)11(12)7-3-5-10-6-4-8-13-10/h4,6,8-9,11-12H,3,5,7H2,1-2H3
InChIKeyVVLLWZXOXRZVKF-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.09
Rot. Bonds5

About 2-methyl-6-thiophen-2-ylhexan-3-ol

2-methyl-6-thiophen-2-ylhexan-3-ol (PubChem CID 63774630) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-methyl-6-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name2-methyl-6-thiophen-2-ylhexan-3-ol
PubChem CID63774630
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-methyl-6-thiophen-2-ylhexan-3-ol
SMILESCC(C)C(O)CCCc1cccs1
InChIInChI=1S/C11H18OS/c1-9(2)11(12)7-3-5-10-6-4-8-13-10/h4,6,8-9,11-12H,3,5,7H2,1-2H3
InChIKeyVVLLWZXOXRZVKF-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
(2-methyl-6-thiophen-2-ylhexan-3-yl)hydrazine
CID 105281740
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
8-thiophen-2-yloctan-4-ol
CID 64516293
6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
4-(aminomethyl)-5-methyl-1-thiophen-2-ylhexan-3-ol
CID 107443143
1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472
1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185856
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
5,6,6-trimethyl-1-thiophen-2-ylheptan-3-ol
CID 115800483
1-thiophen-2-yloct-7-yn-4-ol
CID 105098636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-thiophen-2-ylhexan-3-ol?
The IUPAC name of 2-methyl-6-thiophen-2-ylhexan-3-ol (CID 63774630) is 2-methyl-6-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 2-methyl-6-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 2-methyl-6-thiophen-2-ylhexan-3-ol is CC(C)C(O)CCCc1cccs1.
What is the InChIKey of 2-methyl-6-thiophen-2-ylhexan-3-ol?
The InChIKey is VVLLWZXOXRZVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-9(2)11(12)7-3-5-10-6-4-8-13-10/h4,6,8-9,11-12H,3,5,7H2,1-2H3.
What are the key properties of 2-methyl-6-thiophen-2-ylhexan-3-ol?
2-methyl-6-thiophen-2-ylhexan-3-ol has a molecular weight of 198.33 g/mol, XLogP of 3.09, 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-3-ol is sourced from PubChem (CID 63774630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).