ethane;2-pentylthiophene

C11H20S — CID 143883800

IUPACethane;2-pentylthiophene
SMILESCC.CCCCCc1cccs1
InChIInChI=1S/C9H14S.C2H6/c1-2-3-4-6-9-7-5-8-10-9;1-2/h5,7-8H,2-4,6H2,1H3;1-2H3
InChIKeyOWRYBZHMQPNEEL-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.51
Rot. Bonds4

About ethane;2-pentylthiophene

ethane;2-pentylthiophene (PubChem CID 143883800) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is ethane;2-pentylthiophene.

Molecular Properties

Compound Nameethane;2-pentylthiophene
PubChem CID143883800
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Nameethane;2-pentylthiophene
SMILESCC.CCCCCc1cccs1
InChIInChI=1S/C9H14S.C2H6/c1-2-3-4-6-9-7-5-8-10-9;1-2/h5,7-8H,2-4,6H2,1H3;1-2H3
InChIKeyOWRYBZHMQPNEEL-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.51
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

methane;2-undecylthiophene
CID 175504380
2-butylthiophene;methanamine
CID 143080300
2-(5-pentoxypentyl)thiophene
CID 91586139
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
pentane;2-thiophen-2-ylethanol
CID 70273807
N-hexyl-N-(thiophen-2-ylmethyl)hexan-1-amine
CID 6421755
8-thiophen-2-yloctan-4-ol
CID 64516293
2-(4-fluorobutyl)thiophene
CID 67851736
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427

Frequently Asked Questions

What is the IUPAC name of ethane;2-pentylthiophene?
The IUPAC name of ethane;2-pentylthiophene (CID 143883800) is ethane;2-pentylthiophene.
What is the SMILES notation for ethane;2-pentylthiophene?
The canonical SMILES for ethane;2-pentylthiophene is CC.CCCCCc1cccs1.
What is the InChIKey of ethane;2-pentylthiophene?
The InChIKey is OWRYBZHMQPNEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S.C2H6/c1-2-3-4-6-9-7-5-8-10-9;1-2/h5,7-8H,2-4,6H2,1H3;1-2H3.
What are the key properties of ethane;2-pentylthiophene?
ethane;2-pentylthiophene has a molecular weight of 184.35 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-pentylthiophene is sourced from PubChem (CID 143883800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).