2-chloro-5-(2-ethyl-2-methylheptyl)thiophene

C14H23ClS — CID 130455839

IUPAC2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
SMILESCCCCCC(C)(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C14H23ClS/c1-4-6-7-10-14(3,5-2)11-12-8-9-13(15)16-12/h8-9H,4-7,10-11H2,1-3H3
InChIKeyWUJSTEGAKUXATR-UHFFFAOYSA-N
MW258.86 g/mol
LogP5.94
Rot. Bonds7

About 2-chloro-5-(2-ethyl-2-methylheptyl)thiophene

2-chloro-5-(2-ethyl-2-methylheptyl)thiophene (PubChem CID 130455839) has the molecular formula C14H23ClS and a molecular weight of 258.86 g/mol. Its IUPAC name is 2-chloro-5-(2-ethyl-2-methylheptyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
PubChem CID130455839
Molecular FormulaC14H23ClS
Molecular Weight258.86 g/mol
Exact Mass258.12
IUPAC Name2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
SMILESCCCCCC(C)(CC)Cc1ccc(Cl)s1
InChIInChI=1S/C14H23ClS/c1-4-6-7-10-14(3,5-2)11-12-8-9-13(15)16-12/h8-9H,4-7,10-11H2,1-3H3
InChIKeyWUJSTEGAKUXATR-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.86
LogP ≤ 55.94
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

1-(5-chlorothiophen-2-yl)-2-methylheptan-2-ol
CID 80557726
2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
CID 63508597
2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62717993
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 28565422
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 66025156
2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
CID 112566022
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyltetradecane
CID 54159558
1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
CID 62619974
5-ethyl-5-methylundecane
CID 57491570
1-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)propan-2-ol
CID 114910568

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-ethyl-2-methylheptyl)thiophene?
The IUPAC name of 2-chloro-5-(2-ethyl-2-methylheptyl)thiophene (CID 130455839) is 2-chloro-5-(2-ethyl-2-methylheptyl)thiophene.
What is the SMILES notation for 2-chloro-5-(2-ethyl-2-methylheptyl)thiophene?
The canonical SMILES for 2-chloro-5-(2-ethyl-2-methylheptyl)thiophene is CCCCCC(C)(CC)Cc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2-ethyl-2-methylheptyl)thiophene?
The InChIKey is WUJSTEGAKUXATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClS/c1-4-6-7-10-14(3,5-2)11-12-8-9-13(15)16-12/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of 2-chloro-5-(2-ethyl-2-methylheptyl)thiophene?
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene has a molecular weight of 258.86 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-ethyl-2-methylheptyl)thiophene is sourced from PubChem (CID 130455839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).