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

C14H24S — CID 142069558

IUPAC3-(5-methylnonan-5-yl)thiophene
SMILESCCCCC(C)(CCCC)c1ccsc1
InChIInChI=1S/C14H24S/c1-4-6-9-14(3,10-7-5-2)13-8-11-15-12-13/h8,11-12H,4-7,9-10H2,1-3H3
InChIKeyYNFQCDFUWZCBFH-UHFFFAOYSA-N
MW224.41 g/mol
LogP5.39
Rot. Bonds7

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

3-(5-methylnonan-5-yl)thiophene (PubChem CID 142069558) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 3-(5-methylnonan-5-yl)thiophene.

Molecular Properties

Compound Name3-(5-methylnonan-5-yl)thiophene
PubChem CID142069558
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name3-(5-methylnonan-5-yl)thiophene
SMILESCCCCC(C)(CCCC)c1ccsc1
InChIInChI=1S/C14H24S/c1-4-6-9-14(3,10-7-5-2)13-8-11-15-12-13/h8,11-12H,4-7,9-10H2,1-3H3
InChIKeyYNFQCDFUWZCBFH-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylnonan-5-yl)thiophene?
The IUPAC name of 3-(5-methylnonan-5-yl)thiophene (CID 142069558) is 3-(5-methylnonan-5-yl)thiophene.
What is the SMILES notation for 3-(5-methylnonan-5-yl)thiophene?
The canonical SMILES for 3-(5-methylnonan-5-yl)thiophene is CCCCC(C)(CCCC)c1ccsc1.
What is the InChIKey of 3-(5-methylnonan-5-yl)thiophene?
The InChIKey is YNFQCDFUWZCBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-4-6-9-14(3,10-7-5-2)13-8-11-15-12-13/h8,11-12H,4-7,9-10H2,1-3H3.
What are the key properties of 3-(5-methylnonan-5-yl)thiophene?
3-(5-methylnonan-5-yl)thiophene has a molecular weight of 224.41 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylnonan-5-yl)thiophene is sourced from PubChem (CID 142069558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).