2-chloro-5-(3-methylnonan-3-yl)thiophene

C14H23ClS — CID 139460547

IUPAC2-chloro-5-(3-methylnonan-3-yl)thiophene
SMILESCCCCCCC(C)(CC)c1ccc(Cl)s1
InChIInChI=1S/C14H23ClS/c1-4-6-7-8-11-14(3,5-2)12-9-10-13(15)16-12/h9-10H,4-8,11H2,1-3H3
InChIKeyTWEKOBWGNHTXGK-UHFFFAOYSA-N
MW258.86 g/mol
LogP6.04
Rot. Bonds7

About 2-chloro-5-(3-methylnonan-3-yl)thiophene

2-chloro-5-(3-methylnonan-3-yl)thiophene (PubChem CID 139460547) has the molecular formula C14H23ClS and a molecular weight of 258.86 g/mol. Its IUPAC name is 2-chloro-5-(3-methylnonan-3-yl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(3-methylnonan-3-yl)thiophene
PubChem CID139460547
Molecular FormulaC14H23ClS
Molecular Weight258.86 g/mol
Exact Mass258.12
IUPAC Name2-chloro-5-(3-methylnonan-3-yl)thiophene
SMILESCCCCCCC(C)(CC)c1ccc(Cl)s1
InChIInChI=1S/C14H23ClS/c1-4-6-7-8-11-14(3,5-2)12-9-10-13(15)16-12/h9-10H,4-8,11H2,1-3H3
InChIKeyTWEKOBWGNHTXGK-UHFFFAOYSA-N
XLogP6.04
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 ≤ 56.04
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

5-(3-methylnonan-3-yl)-3H-1,3-thiazol-2-one
CID 129214742
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
CID 130455839
1-(5-chlorothiophen-2-yl)-2-methylheptan-2-ol
CID 80557726
2-(6-methyltridecan-6-yl)thiophene
CID 139342178
3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 79838000
3-ethenyl-5-(3-methylnonan-3-yl)-1,2-thiazole
CID 126514041
2-(3-methylnonan-3-yl)thiophene-3-carboxylic acid
CID 138747060
3-(6-methylundecan-6-yl)thiophene
CID 129310347
3-(3-methylnonan-3-yl)-1,2,4-thiadiazole
CID 166645014
2-[1,1-bis(5-bromothiophen-2-yl)heptyl]-5-bromothiophene
CID 86053610
9-bromo-9-methylhenicosane
CID 155906452
1-bromo-3-(3-methylnonan-3-yl)benzene
CID 134535746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methylnonan-3-yl)thiophene?
The IUPAC name of 2-chloro-5-(3-methylnonan-3-yl)thiophene (CID 139460547) is 2-chloro-5-(3-methylnonan-3-yl)thiophene.
What is the SMILES notation for 2-chloro-5-(3-methylnonan-3-yl)thiophene?
The canonical SMILES for 2-chloro-5-(3-methylnonan-3-yl)thiophene is CCCCCCC(C)(CC)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(3-methylnonan-3-yl)thiophene?
The InChIKey is TWEKOBWGNHTXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClS/c1-4-6-7-8-11-14(3,5-2)12-9-10-13(15)16-12/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 2-chloro-5-(3-methylnonan-3-yl)thiophene?
2-chloro-5-(3-methylnonan-3-yl)thiophene has a molecular weight of 258.86 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methylnonan-3-yl)thiophene is sourced from PubChem (CID 139460547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).