1,2,3-triethyl-4-prop-2-enylbenzene

C15H22 — CID 18622289

IUPAC1,2,3-triethyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(CC)c(CC)c1CC
InChIInChI=1S/C15H22/c1-5-9-13-11-10-12(6-2)14(7-3)15(13)8-4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyZBTZOWYSOCPKQP-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.10
Rot. Bonds5

About 1,2,3-triethyl-4-prop-2-enylbenzene

1,2,3-triethyl-4-prop-2-enylbenzene (PubChem CID 18622289) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,2,3-triethyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1,2,3-triethyl-4-prop-2-enylbenzene
PubChem CID18622289
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1,2,3-triethyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(CC)c(CC)c1CC
InChIInChI=1S/C15H22/c1-5-9-13-11-10-12(6-2)14(7-3)15(13)8-4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyZBTZOWYSOCPKQP-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
M-Xylene
CID 7929
P-Xylene
CID 7809
1-Methylnaphthalene
CID 7002
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triethyl-4-prop-2-enylbenzene?
The IUPAC name of 1,2,3-triethyl-4-prop-2-enylbenzene (CID 18622289) is 1,2,3-triethyl-4-prop-2-enylbenzene.
What is the SMILES notation for 1,2,3-triethyl-4-prop-2-enylbenzene?
The canonical SMILES for 1,2,3-triethyl-4-prop-2-enylbenzene is C=CCc1ccc(CC)c(CC)c1CC.
What is the InChIKey of 1,2,3-triethyl-4-prop-2-enylbenzene?
The InChIKey is ZBTZOWYSOCPKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-5-9-13-11-10-12(6-2)14(7-3)15(13)8-4/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 1,2,3-triethyl-4-prop-2-enylbenzene?
1,2,3-triethyl-4-prop-2-enylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triethyl-4-prop-2-enylbenzene is sourced from PubChem (CID 18622289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).