1-ethenyl-2-pentan-3-ylbenzene

C13H18 — CID 20542388

IUPAC1-ethenyl-2-pentan-3-ylbenzene
SMILESC=Cc1ccccc1C(CC)CC
InChIInChI=1S/C13H18/c1-4-11(5-2)13-10-8-7-9-12(13)6-3/h6-11H,3-5H2,1-2H3
InChIKeyJGQNVSRJJBXLOD-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.23
Rot. Bonds4

About 1-ethenyl-2-pentan-3-ylbenzene

1-ethenyl-2-pentan-3-ylbenzene (PubChem CID 20542388) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-ethenyl-2-pentan-3-ylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-pentan-3-ylbenzene
PubChem CID20542388
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-ethenyl-2-pentan-3-ylbenzene
SMILESC=Cc1ccccc1C(CC)CC
InChIInChI=1S/C13H18/c1-4-11(5-2)13-10-8-7-9-12(13)6-3/h6-11H,3-5H2,1-2H3
InChIKeyJGQNVSRJJBXLOD-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-pentan-3-ylbenzene?
The IUPAC name of 1-ethenyl-2-pentan-3-ylbenzene (CID 20542388) is 1-ethenyl-2-pentan-3-ylbenzene.
What is the SMILES notation for 1-ethenyl-2-pentan-3-ylbenzene?
The canonical SMILES for 1-ethenyl-2-pentan-3-ylbenzene is C=Cc1ccccc1C(CC)CC.
What is the InChIKey of 1-ethenyl-2-pentan-3-ylbenzene?
The InChIKey is JGQNVSRJJBXLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-4-11(5-2)13-10-8-7-9-12(13)6-3/h6-11H,3-5H2,1-2H3.
What are the key properties of 1-ethenyl-2-pentan-3-ylbenzene?
1-ethenyl-2-pentan-3-ylbenzene has a molecular weight of 174.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-pentan-3-ylbenzene is sourced from PubChem (CID 20542388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).