3-(6-methylundecan-6-yl)thiophene

C16H28S — CID 129310347

IUPAC3-(6-methylundecan-6-yl)thiophene
SMILESCCCCCC(C)(CCCCC)c1ccsc1
InChIInChI=1S/C16H28S/c1-4-6-8-11-16(3,12-9-7-5-2)15-10-13-17-14-15/h10,13-14H,4-9,11-12H2,1-3H3
InChIKeyPRDFPODRUSWRGZ-UHFFFAOYSA-N
MW252.47 g/mol
LogP6.17
Rot. Bonds9

About 3-(6-methylundecan-6-yl)thiophene

3-(6-methylundecan-6-yl)thiophene (PubChem CID 129310347) has the molecular formula C16H28S and a molecular weight of 252.47 g/mol. Its IUPAC name is 3-(6-methylundecan-6-yl)thiophene.

Molecular Properties

Compound Name3-(6-methylundecan-6-yl)thiophene
PubChem CID129310347
Molecular FormulaC16H28S
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name3-(6-methylundecan-6-yl)thiophene
SMILESCCCCCC(C)(CCCCC)c1ccsc1
InChIInChI=1S/C16H28S/c1-4-6-8-11-16(3,12-9-7-5-2)15-10-13-17-14-15/h10,13-14H,4-9,11-12H2,1-3H3
InChIKeyPRDFPODRUSWRGZ-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 56.17
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

3-(5-methylnonan-5-yl)thiophene
CID 142069558
2-methyl-2-thiophen-3-ylbutan-1-amine
CID 82412624
4-(5-methylundecan-5-yl)pyridine
CID 146178387
3-thiophen-3-ylpentan-3-amine
CID 65099925
2-(6-methyltridecan-6-yl)thiophene
CID 139342178
4-(7-methyltridecan-7-yl)pyridazine
CID 146508245
3-thiophen-3-ylpentan-3-ol
CID 65099780
2-phenyldecan-2-amine
CID 63408050
2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
2,3-dimethyl-3-thiophen-3-ylbutan-2-amine
CID 18719736
ethane;2-thiophen-3-ylpropan-2-ol
CID 144659448
2-phenylicosan-2-amine;hydrochloride
CID 173065845

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylundecan-6-yl)thiophene?
The IUPAC name of 3-(6-methylundecan-6-yl)thiophene (CID 129310347) is 3-(6-methylundecan-6-yl)thiophene.
What is the SMILES notation for 3-(6-methylundecan-6-yl)thiophene?
The canonical SMILES for 3-(6-methylundecan-6-yl)thiophene is CCCCCC(C)(CCCCC)c1ccsc1.
What is the InChIKey of 3-(6-methylundecan-6-yl)thiophene?
The InChIKey is PRDFPODRUSWRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28S/c1-4-6-8-11-16(3,12-9-7-5-2)15-10-13-17-14-15/h10,13-14H,4-9,11-12H2,1-3H3.
What are the key properties of 3-(6-methylundecan-6-yl)thiophene?
3-(6-methylundecan-6-yl)thiophene has a molecular weight of 252.47 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylundecan-6-yl)thiophene is sourced from PubChem (CID 129310347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).