bis(2-methylprop-1-ene);toluene

C15H24 — CID 158339604

IUPACbis(2-methylprop-1-ene);toluene
SMILESC=C(C)C.C=C(C)C.Cc1ccccc1
InChIInChI=1S/C7H8.2C4H8/c1-7-5-3-2-4-6-7;2*1-4(2)3/h2-6H,1H3;2*1H2,2-3H3
InChIKeyGQZODLFADNKOBH-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.16
Rot. Bonds

About bis(2-methylprop-1-ene);toluene

bis(2-methylprop-1-ene);toluene (PubChem CID 158339604) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is bis(2-methylprop-1-ene);toluene.

Molecular Properties

Compound Namebis(2-methylprop-1-ene);toluene
PubChem CID158339604
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Namebis(2-methylprop-1-ene);toluene
SMILESC=C(C)C.C=C(C)C.Cc1ccccc1
InChIInChI=1S/C7H8.2C4H8/c1-7-5-3-2-4-6-7;2*1-4(2)3/h2-6H,1H3;2*1H2,2-3H3
InChIKeyGQZODLFADNKOBH-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.16
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(prop-1-en-2-yl)benzene;toluene
CID 173384676
ethene;toluene
CID 22237200
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
3-methylbut-3-en-2-ol;toluene
CID 91227774
methanol;titanium;toluene
CID 160815635
ethene;toluene;dihydrochloride
CID 174276009
hydroxysilane;toluene
CID 174524422
toluene;hydrate
CID 22272177
ethane;toluene
CID 91350799
bismuthane;toluene
CID 173370039

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-1-ene);toluene?
The IUPAC name of bis(2-methylprop-1-ene);toluene (CID 158339604) is bis(2-methylprop-1-ene);toluene.
What is the SMILES notation for bis(2-methylprop-1-ene);toluene?
The canonical SMILES for bis(2-methylprop-1-ene);toluene is C=C(C)C.C=C(C)C.Cc1ccccc1.
What is the InChIKey of bis(2-methylprop-1-ene);toluene?
The InChIKey is GQZODLFADNKOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C4H8/c1-7-5-3-2-4-6-7;2*1-4(2)3/h2-6H,1H3;2*1H2,2-3H3.
What are the key properties of bis(2-methylprop-1-ene);toluene?
bis(2-methylprop-1-ene);toluene has a molecular weight of 204.36 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-1-ene);toluene is sourced from PubChem (CID 158339604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).