2-(6-methylheptan-2-yl)thiophene

C12H20S — CID 141463687

IUPAC2-(6-methylheptan-2-yl)thiophene
SMILESCC(C)CCCC(C)c1cccs1
InChIInChI=1S/C12H20S/c1-10(2)6-4-7-11(3)12-8-5-9-13-12/h5,8-11H,4,6-7H2,1-3H3
InChIKeyQPWLLVJRGNUGJH-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.68
Rot. Bonds5

About 2-(6-methylheptan-2-yl)thiophene

2-(6-methylheptan-2-yl)thiophene (PubChem CID 141463687) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 2-(6-methylheptan-2-yl)thiophene.

Molecular Properties

Compound Name2-(6-methylheptan-2-yl)thiophene
PubChem CID141463687
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name2-(6-methylheptan-2-yl)thiophene
SMILESCC(C)CCCC(C)c1cccs1
InChIInChI=1S/C12H20S/c1-10(2)6-4-7-11(3)12-8-5-9-13-12/h5,8-11H,4,6-7H2,1-3H3
InChIKeyQPWLLVJRGNUGJH-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 81020260
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
2-propan-2-ylthiophene
CID 178128598
1-amino-6-methyl-1-thiophen-2-ylheptan-2-one
CID 116601583
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
2-thiophen-2-ylpropane-1-sulfonyl chloride
CID 83642993
N-(dithiophen-2-ylmethyl)-3-methylbutan-1-amine
CID 43760503
4-chloro-N-(5-methyl-1-thiophen-2-ylhexyl)benzenesulfonamide
CID 10248669
2-pent-4-yn-2-ylthiophene
CID 83934777
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
2-(1-chloro-3-methylbutyl)thiophene
CID 61085151

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptan-2-yl)thiophene?
The IUPAC name of 2-(6-methylheptan-2-yl)thiophene (CID 141463687) is 2-(6-methylheptan-2-yl)thiophene.
What is the SMILES notation for 2-(6-methylheptan-2-yl)thiophene?
The canonical SMILES for 2-(6-methylheptan-2-yl)thiophene is CC(C)CCCC(C)c1cccs1.
What is the InChIKey of 2-(6-methylheptan-2-yl)thiophene?
The InChIKey is QPWLLVJRGNUGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-10(2)6-4-7-11(3)12-8-5-9-13-12/h5,8-11H,4,6-7H2,1-3H3.
What are the key properties of 2-(6-methylheptan-2-yl)thiophene?
2-(6-methylheptan-2-yl)thiophene has a molecular weight of 196.36 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptan-2-yl)thiophene is sourced from PubChem (CID 141463687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).