1-ethenyl-3,4-diethyl-2-methylbenzene

C13H18 — CID 54110697

IUPAC1-ethenyl-3,4-diethyl-2-methylbenzene
SMILESC=Cc1ccc(CC)c(CC)c1C
InChIInChI=1S/C13H18/c1-5-11-8-9-12(6-2)13(7-3)10(11)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyNGWNYUAWPDYKPC-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.76
Rot. Bonds3

About 1-ethenyl-3,4-diethyl-2-methylbenzene

1-ethenyl-3,4-diethyl-2-methylbenzene (PubChem CID 54110697) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-ethenyl-3,4-diethyl-2-methylbenzene.

Molecular Properties

Compound Name1-ethenyl-3,4-diethyl-2-methylbenzene
PubChem CID54110697
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-ethenyl-3,4-diethyl-2-methylbenzene
SMILESC=Cc1ccc(CC)c(CC)c1C
InChIInChI=1S/C13H18/c1-5-11-8-9-12(6-2)13(7-3)10(11)4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyNGWNYUAWPDYKPC-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,4-diethyl-2-methylbenzene?
The IUPAC name of 1-ethenyl-3,4-diethyl-2-methylbenzene (CID 54110697) is 1-ethenyl-3,4-diethyl-2-methylbenzene.
What is the SMILES notation for 1-ethenyl-3,4-diethyl-2-methylbenzene?
The canonical SMILES for 1-ethenyl-3,4-diethyl-2-methylbenzene is C=Cc1ccc(CC)c(CC)c1C.
What is the InChIKey of 1-ethenyl-3,4-diethyl-2-methylbenzene?
The InChIKey is NGWNYUAWPDYKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-5-11-8-9-12(6-2)13(7-3)10(11)4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 1-ethenyl-3,4-diethyl-2-methylbenzene?
1-ethenyl-3,4-diethyl-2-methylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,4-diethyl-2-methylbenzene is sourced from PubChem (CID 54110697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).