1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide

C13H19Br — CID 174713948

IUPAC1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide
SMILESBr.C=C(C)C.C=Cc1ccccc1C
InChIInChI=1S/C9H10.C4H8.BrH/c1-3-9-7-5-4-6-8(9)2;1-4(2)3;/h3-7H,1H2,2H3;1H2,2-3H3;1H
InChIKeyBIURPGUVZZMBIA-UHFFFAOYSA-N
MW255.20 g/mol
LogP4.80
Rot. Bonds1

About 1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide

1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide (PubChem CID 174713948) has the molecular formula C13H19Br and a molecular weight of 255.20 g/mol. Its IUPAC name is 1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide.

Molecular Properties

Compound Name1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide
PubChem CID174713948
Molecular FormulaC13H19Br
Molecular Weight255.20 g/mol
Exact Mass254.07
IUPAC Name1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide
SMILESBr.C=C(C)C.C=Cc1ccccc1C
InChIInChI=1S/C9H10.C4H8.BrH/c1-3-9-7-5-4-6-8(9)2;1-4(2)3;/h3-7H,1H2,2H3;1H2,2-3H3;1H
InChIKeyBIURPGUVZZMBIA-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 54.80
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-ethenyl-2-methylbenzene;sulfane
CID 175547085
lithium;1-ethenyl-2-methylbenzene;hydride
CID 174441225
1-ethenyl-2-methylbenzene;trimethylazanium
CID 18465530
buta-1,3-diene;1-ethenyl-2-methylbenzene;2-methylprop-2-enoic acid
CID 175445378
ethenoxyethene;1-ethenyl-2-methylbenzene
CID 175558522
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
1-ethenyl-2-methylbenzene;heptane
CID 173354339
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
CID 6454102
ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene
CID 144517802
1-ethenyl-2-methylbenzene;2-methyl-2-phenyloxirane
CID 178075043
ethenylcyclohexane;1-ethenyl-2-methylbenzene
CID 174828850

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide?
The IUPAC name of 1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide (CID 174713948) is 1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide.
What is the SMILES notation for 1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide?
The canonical SMILES for 1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide is Br.C=C(C)C.C=Cc1ccccc1C.
What is the InChIKey of 1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide?
The InChIKey is BIURPGUVZZMBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C4H8.BrH/c1-3-9-7-5-4-6-8(9)2;1-4(2)3;/h3-7H,1H2,2H3;1H2,2-3H3;1H.
What are the key properties of 1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide?
1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide has a molecular weight of 255.20 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide is sourced from PubChem (CID 174713948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).