4-methyl-2-pentylthiophene

C10H16S — CID 138747732

IUPAC4-methyl-2-pentylthiophene
SMILESCCCCCc1cc(C)cs1
InChIInChI=1S/C10H16S/c1-3-4-5-6-10-7-9(2)8-11-10/h7-8H,3-6H2,1-2H3
InChIKeyBFSISCIQVCQJTC-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.79
Rot. Bonds4

About 4-methyl-2-pentylthiophene

4-methyl-2-pentylthiophene (PubChem CID 138747732) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 4-methyl-2-pentylthiophene.

Molecular Properties

Compound Name4-methyl-2-pentylthiophene
PubChem CID138747732
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name4-methyl-2-pentylthiophene
SMILESCCCCCc1cc(C)cs1
InChIInChI=1S/C10H16S/c1-3-4-5-6-10-7-9(2)8-11-10/h7-8H,3-6H2,1-2H3
InChIKeyBFSISCIQVCQJTC-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-pentylthiophene
CID 10976132
tributyl-(5-pentylthiophen-3-yl)stannane
CID 172559357
(5-hexylthiophen-3-yl)methanethiol
CID 141382772
ethane;2-ethyl-4-methylthiophene
CID 144673037
5,9-bis(5-hexylthiophen-3-yl)-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene
CID 145051385
5-butylthiophene-3-carbaldehyde
CID 91750489
5-butylthiophene-3-carbonitrile
CID 174913029
2,5-dioctylthieno[3,2-b]thiophene
CID 139270896
N-[(5-butylthiophen-3-yl)methyl]ethanamine
CID 114748838
2,5-diheptylthiophene
CID 607114
3,4-dimethyl-2-pentylthiophene
CID 151508596
ethane;2-pentylthiophene
CID 143883800

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentylthiophene?
The IUPAC name of 4-methyl-2-pentylthiophene (CID 138747732) is 4-methyl-2-pentylthiophene.
What is the SMILES notation for 4-methyl-2-pentylthiophene?
The canonical SMILES for 4-methyl-2-pentylthiophene is CCCCCc1cc(C)cs1.
What is the InChIKey of 4-methyl-2-pentylthiophene?
The InChIKey is BFSISCIQVCQJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-3-4-5-6-10-7-9(2)8-11-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-pentylthiophene?
4-methyl-2-pentylthiophene has a molecular weight of 168.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentylthiophene is sourced from PubChem (CID 138747732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).