1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene

C22H42 — CID 143109354

IUPAC1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
SMILESC=CC.C=Cc1ccc(C)cc1C=C.CC.CC.CC.CC
InChIInChI=1S/C11H12.C3H6.4C2H6/c1-4-10-7-6-9(3)8-11(10)5-2;1-3-2;4*1-2/h4-8H,1-2H2,3H3;3H,1H2,2H3;4*1-2H3
InChIKeyDBEXDJQRQRUMRC-UHFFFAOYSA-N
MW306.58 g/mol
LogP8.58
Rot. Bonds2

About 1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene

1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene (PubChem CID 143109354) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
PubChem CID143109354
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
SMILESC=CC.C=Cc1ccc(C)cc1C=C.CC.CC.CC.CC
InChIInChI=1S/C11H12.C3H6.4C2H6/c1-4-10-7-6-9(3)8-11(10)5-2;1-3-2;4*1-2/h4-8H,1-2H2,3H3;3H,1H2,2H3;4*1-2H3
InChIKeyDBEXDJQRQRUMRC-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(ethenyl)-4-methylbenzene;ethane;methane;prop-1-ene
CID 143109411
1,2-bis(ethenyl)-4-methylbenzene;methoxymethane
CID 142804443
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
1-ethenyl-2,4-dimethylbenzene
CID 157285903
1-ethenyl-2-iodo-4-methylbenzene
CID 139713418
1-chloro-2-ethenyl-4-methylbenzene
CID 19377357
2-ethenyl-1,7-dimethylnaphthalene
CID 142881924
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
1,2-bis(ethenyl)-6-methylnaphthalene;ethane;propane
CID 145447193
3,4-bis(ethenyl)aniline;ethane
CID 142131680
ethane;ethenyl-(2-ethenyl-5-methylphenyl)diazene
CID 143256188

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene?
The IUPAC name of 1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene (CID 143109354) is 1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene.
What is the SMILES notation for 1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene?
The canonical SMILES for 1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene is C=CC.C=Cc1ccc(C)cc1C=C.CC.CC.CC.CC.
What is the InChIKey of 1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene?
The InChIKey is DBEXDJQRQRUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.C3H6.4C2H6/c1-4-10-7-6-9(3)8-11(10)5-2;1-3-2;4*1-2/h4-8H,1-2H2,3H3;3H,1H2,2H3;4*1-2H3.
What are the key properties of 1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene?
1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene has a molecular weight of 306.58 g/mol, XLogP of 8.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene is sourced from PubChem (CID 143109354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).