3-hexan-2-ylthiophene

C10H16S — CID 18454785

IUPAC3-hexan-2-ylthiophene
SMILESCCCCC(C)c1ccsc1
InChIInChI=1S/C10H16S/c1-3-4-5-9(2)10-6-7-11-8-10/h6-9H,3-5H2,1-2H3
InChIKeyKQNXYSABVOQAGB-UHFFFAOYSA-N
MW168.31 g/mol
LogP4.04
Rot. Bonds4

About 3-hexan-2-ylthiophene

3-hexan-2-ylthiophene (PubChem CID 18454785) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 3-hexan-2-ylthiophene.

Molecular Properties

Compound Name3-hexan-2-ylthiophene
PubChem CID18454785
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name3-hexan-2-ylthiophene
SMILESCCCCC(C)c1ccsc1
InChIInChI=1S/C10H16S/c1-3-4-5-9(2)10-6-7-11-8-10/h6-9H,3-5H2,1-2H3
InChIKeyKQNXYSABVOQAGB-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-pent-4-yn-2-ylthiophene
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3-(1-bromobutyl)thiophene
CID 174787739
N-(1-thiophen-3-ylethyl)decan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-hexan-2-ylthiophene?
The IUPAC name of 3-hexan-2-ylthiophene (CID 18454785) is 3-hexan-2-ylthiophene.
What is the SMILES notation for 3-hexan-2-ylthiophene?
The canonical SMILES for 3-hexan-2-ylthiophene is CCCCC(C)c1ccsc1.
What is the InChIKey of 3-hexan-2-ylthiophene?
The InChIKey is KQNXYSABVOQAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-3-4-5-9(2)10-6-7-11-8-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-hexan-2-ylthiophene?
3-hexan-2-ylthiophene has a molecular weight of 168.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-2-ylthiophene is sourced from PubChem (CID 18454785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).