2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene

C16H22 — CID 142450771

IUPAC2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene
SMILESC=Cc1c(C(C)C)ccc(C(C)C)c1C=C
InChIInChI=1S/C16H22/c1-7-13-14(8-2)16(12(5)6)10-9-15(13)11(3)4/h7-12H,1-2H2,3-6H3
InChIKeyUJBBABNOEARSTK-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.22
Rot. Bonds4

About 2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene

2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene (PubChem CID 142450771) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene
PubChem CID142450771
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene
SMILESC=Cc1c(C(C)C)ccc(C(C)C)c1C=C
InChIInChI=1S/C16H22/c1-7-13-14(8-2)16(12(5)6)10-9-15(13)11(3)4/h7-12H,1-2H2,3-6H3
InChIKeyUJBBABNOEARSTK-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene?
The IUPAC name of 2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene (CID 142450771) is 2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene.
What is the SMILES notation for 2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene?
The canonical SMILES for 2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene is C=Cc1c(C(C)C)ccc(C(C)C)c1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene?
The InChIKey is UJBBABNOEARSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-7-13-14(8-2)16(12(5)6)10-9-15(13)11(3)4/h7-12H,1-2H2,3-6H3.
What are the key properties of 2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene?
2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene has a molecular weight of 214.35 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene is sourced from PubChem (CID 142450771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).