1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene

C21H24 — CID 173010088

IUPAC1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.C=Cc1cccc(C=C)c1CC
InChIInChI=1S/C12H14.C9H10/c1-4-10-8-7-9-11(5-2)12(10)6-3;1-8(2)9-6-4-3-5-7-9/h4-5,7-9H,1-2,6H2,3H3;3-7H,1H2,2H3
InChIKeyOQCDCGRMVZYGJZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP6.25
Rot. Bonds4

About 1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene

1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene (PubChem CID 173010088) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
PubChem CID173010088
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.C=Cc1cccc(C=C)c1CC
InChIInChI=1S/C12H14.C9H10/c1-4-10-8-7-9-11(5-2)12(10)6-3;1-8(2)9-6-4-3-5-7-9/h4-5,7-9H,1-2,6H2,3H3;3-7H,1H2,2H3
InChIKeyOQCDCGRMVZYGJZ-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethenamine;prop-1-en-2-ylbenzene
CID 172805831
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
CID 159036970
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
2-ethenylbenzoic acid;prop-1-en-2-ylbenzene
CID 174866821
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
ethane-1,2-diol;prop-1-en-2-ylbenzene
CID 68647860
3-ethenyl-2-ethylbenzoic acid
CID 70289721
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
lithium;butane;prop-1-en-2-ylbenzene
CID 173314205

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene?
The IUPAC name of 1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene (CID 173010088) is 1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene.
What is the SMILES notation for 1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene?
The canonical SMILES for 1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.C=Cc1cccc(C=C)c1CC.
What is the InChIKey of 1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene?
The InChIKey is OQCDCGRMVZYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C9H10/c1-4-10-8-7-9-11(5-2)12(10)6-3;1-8(2)9-6-4-3-5-7-9/h4-5,7-9H,1-2,6H2,3H3;3-7H,1H2,2H3.
What are the key properties of 1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene?
1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene has a molecular weight of 276.42 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene is sourced from PubChem (CID 173010088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).