2-(2-methoxy-4-methylpentyl)thiophene

C11H18OS — CID 56988379

IUPAC2-(2-methoxy-4-methylpentyl)thiophene
SMILESCOC(Cc1cccs1)CC(C)C
InChIInChI=1S/C11H18OS/c1-9(2)7-10(12-3)8-11-5-4-6-13-11/h4-6,9-10H,7-8H2,1-3H3
InChIKeyNMBQZAIUYLBLOZ-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.35
Rot. Bonds5

About 2-(2-methoxy-4-methylpentyl)thiophene

2-(2-methoxy-4-methylpentyl)thiophene (PubChem CID 56988379) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylpentyl)thiophene.

Molecular Properties

Compound Name2-(2-methoxy-4-methylpentyl)thiophene
PubChem CID56988379
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-(2-methoxy-4-methylpentyl)thiophene
SMILESCOC(Cc1cccs1)CC(C)C
InChIInChI=1S/C11H18OS/c1-9(2)7-10(12-3)8-11-5-4-6-13-11/h4-6,9-10H,7-8H2,1-3H3
InChIKeyNMBQZAIUYLBLOZ-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
1,1-dimethoxy-3-thiophen-2-ylpropan-2-amine
CID 79492317
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
3-methoxy-1-thiophen-2-ylpentan-2-amine
CID 116715036
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436
(2S)-1-methoxy-3-thiophen-2-ylpropan-2-amine
CID 94868216
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
2-(2-methylbut-3-ynyl)thiophene
CID 83934797
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
2-(methoxymethyl)thiophene
CID 10240820
3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylpentyl)thiophene?
The IUPAC name of 2-(2-methoxy-4-methylpentyl)thiophene (CID 56988379) is 2-(2-methoxy-4-methylpentyl)thiophene.
What is the SMILES notation for 2-(2-methoxy-4-methylpentyl)thiophene?
The canonical SMILES for 2-(2-methoxy-4-methylpentyl)thiophene is COC(Cc1cccs1)CC(C)C.
What is the InChIKey of 2-(2-methoxy-4-methylpentyl)thiophene?
The InChIKey is NMBQZAIUYLBLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-9(2)7-10(12-3)8-11-5-4-6-13-11/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 2-(2-methoxy-4-methylpentyl)thiophene?
2-(2-methoxy-4-methylpentyl)thiophene has a molecular weight of 198.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylpentyl)thiophene is sourced from PubChem (CID 56988379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).