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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Related Compounds

azane;1-ethenyl-2,3,4-triethylbenzene;hydrochloride
CID 175185911
1,2-diethyl-3,4-dimethylbenzene
CID 590292
1,4-bis(ethenyl)-2,3-dimethylbenzene;dihydrate
CID 134586687
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822
ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene
CID 176968104
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1,2,3-triethyl-4-prop-2-enylbenzene
CID 18622289
4-ethenyl-2,3-diethylaniline
CID 70188085
1,4-bis(ethenyl)-2-ethylbenzene
CID 57040233
1-ethenyl-3-[(2-ethylphenyl)methyl]-2-methylbenzene;ethylbenzene
CID 142480467
1-ethenyl-2-ethyl-4-methylbenzene;1-ethenyl-2-methylbenzene
CID 173409250
4-chloro-2-ethenyl-1-ethylbenzene
CID 118269080

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).