2-(2-chloro-3-ethylheptyl)thiophene

C13H21ClS — CID 63519016

IUPAC2-(2-chloro-3-ethylheptyl)thiophene
SMILESCCCCC(CC)C(Cl)Cc1cccs1
InChIInChI=1S/C13H21ClS/c1-3-5-7-11(4-2)13(14)10-12-8-6-9-15-12/h6,8-9,11,13H,3-5,7,10H2,1-2H3
InChIKeyLUAHHGQQMWCMHG-UHFFFAOYSA-N
MW244.83 g/mol
LogP5.11
Rot. Bonds7

About 2-(2-chloro-3-ethylheptyl)thiophene

2-(2-chloro-3-ethylheptyl)thiophene (PubChem CID 63519016) has the molecular formula C13H21ClS and a molecular weight of 244.83 g/mol. Its IUPAC name is 2-(2-chloro-3-ethylheptyl)thiophene.

Molecular Properties

Compound Name2-(2-chloro-3-ethylheptyl)thiophene
PubChem CID63519016
Molecular FormulaC13H21ClS
Molecular Weight244.83 g/mol
Exact Mass244.11
IUPAC Name2-(2-chloro-3-ethylheptyl)thiophene
SMILESCCCCC(CC)C(Cl)Cc1cccs1
InChIInChI=1S/C13H21ClS/c1-3-5-7-11(4-2)13(14)10-12-8-6-9-15-12/h6,8-9,11,13H,3-5,7,10H2,1-2H3
InChIKeyLUAHHGQQMWCMHG-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.83
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-3-ethylpentyl)thiophene
CID 63520573
2-(2-butyloctyl)thiophene
CID 66609412
1-thiophen-2-yltridecan-2-amine
CID 65428259
2-ethyl-1-thiophen-2-ylhexan-1-ol
CID 61087313
2-[2-(chloromethyl)butyl]thiophene
CID 66035000
N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
CID 61000963
N-methyl-1-thiophen-2-yltetradecan-2-amine
CID 63416157
N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
CID 43692705
4-ethyl-1-thiophen-2-yloct-1-yn-3-ol
CID 146003764
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
2-butylthiophene;methanamine
CID 143080300
ethane;2-pentylthiophene
CID 143883800

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-ethylheptyl)thiophene?
The IUPAC name of 2-(2-chloro-3-ethylheptyl)thiophene (CID 63519016) is 2-(2-chloro-3-ethylheptyl)thiophene.
What is the SMILES notation for 2-(2-chloro-3-ethylheptyl)thiophene?
The canonical SMILES for 2-(2-chloro-3-ethylheptyl)thiophene is CCCCC(CC)C(Cl)Cc1cccs1.
What is the InChIKey of 2-(2-chloro-3-ethylheptyl)thiophene?
The InChIKey is LUAHHGQQMWCMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClS/c1-3-5-7-11(4-2)13(14)10-12-8-6-9-15-12/h6,8-9,11,13H,3-5,7,10H2,1-2H3.
What are the key properties of 2-(2-chloro-3-ethylheptyl)thiophene?
2-(2-chloro-3-ethylheptyl)thiophene has a molecular weight of 244.83 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-ethylheptyl)thiophene is sourced from PubChem (CID 63519016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).