1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene

C16H24 — CID 123346539

IUPAC1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene
SMILESC=Cc1cccc(C(C)C)c1CC(C)CC
InChIInChI=1S/C16H24/c1-6-13(5)11-16-14(7-2)9-8-10-15(16)12(3)4/h7-10,12-13H,2,6,11H2,1,3-5H3
InChIKeyCKBITLGBQXGSOM-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.04
Rot. Bonds5

About 1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene

1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene (PubChem CID 123346539) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene
PubChem CID123346539
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene
SMILESC=Cc1cccc(C(C)C)c1CC(C)CC
InChIInChI=1S/C16H24/c1-6-13(5)11-16-14(7-2)9-8-10-15(16)12(3)4/h7-10,12-13H,2,6,11H2,1,3-5H3
InChIKeyCKBITLGBQXGSOM-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine
CID 130371594
2-chloro-1-ethenyl-3-propan-2-ylbenzene
CID 118269122
1-ethenyl-2-pentan-3-ylbenzene
CID 20542388
2-butan-2-yl-1-ethenyl-3-methylbenzene
CID 150268665
1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene
CID 22186396
1-(2-ethenylphenyl)propan-1-amine
CID 55283392
1-(2-chloropentan-3-yl)-2-ethenylbenzene
CID 139903375
1-ethenyl-3-fluoro-2-propylbenzene
CID 66613054
3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol
CID 123796144
1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
CID 173010088
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene?
The IUPAC name of 1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene (CID 123346539) is 1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene.
What is the SMILES notation for 1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene?
The canonical SMILES for 1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene is C=Cc1cccc(C(C)C)c1CC(C)CC.
What is the InChIKey of 1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene?
The InChIKey is CKBITLGBQXGSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-6-13(5)11-16-14(7-2)9-8-10-15(16)12(3)4/h7-10,12-13H,2,6,11H2,1,3-5H3.
What are the key properties of 1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene?
1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(2-methylbutyl)-3-propan-2-ylbenzene is sourced from PubChem (CID 123346539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).