3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol

C11H18OS — CID 163586542

IUPAC3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol
SMILESCc1ccsc1CCC(C)CCO
InChIInChI=1S/C11H18OS/c1-9(5-7-12)3-4-11-10(2)6-8-13-11/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyGLYWLNGAJQZOBN-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.01
Rot. Bonds5

About 3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol

3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol (PubChem CID 163586542) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol
PubChem CID163586542
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol
SMILESCc1ccsc1CCC(C)CCO
InChIInChI=1S/C11H18OS/c1-9(5-7-12)3-4-11-10(2)6-8-13-11/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyGLYWLNGAJQZOBN-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol?
The IUPAC name of 3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol (CID 163586542) is 3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol.
What is the SMILES notation for 3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol?
The canonical SMILES for 3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol is Cc1ccsc1CCC(C)CCO.
What is the InChIKey of 3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol?
The InChIKey is GLYWLNGAJQZOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-9(5-7-12)3-4-11-10(2)6-8-13-11/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of 3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol?
3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol has a molecular weight of 198.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylthiophen-2-yl)pentan-1-ol is sourced from PubChem (CID 163586542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).