1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene

C13H18 — CID 147152105

IUPAC1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene
SMILESC=CCc1cc(C)c(CC)cc1C
InChIInChI=1S/C13H18/c1-5-7-13-9-10(3)12(6-2)8-11(13)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyBUEPSVIWQHQNKG-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.59
Rot. Bonds3

About 1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene

1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene (PubChem CID 147152105) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene
PubChem CID147152105
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene
SMILESC=CCc1cc(C)c(CC)cc1C
InChIInChI=1S/C13H18/c1-5-7-13-9-10(3)12(6-2)8-11(13)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyBUEPSVIWQHQNKG-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene?
The IUPAC name of 1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene (CID 147152105) is 1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene.
What is the SMILES notation for 1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene?
The canonical SMILES for 1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene is C=CCc1cc(C)c(CC)cc1C.
What is the InChIKey of 1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene?
The InChIKey is BUEPSVIWQHQNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-5-7-13-9-10(3)12(6-2)8-11(13)4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene?
1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene is sourced from PubChem (CID 147152105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).