ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene

C14H22 — CID 142829669

IUPACethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
SMILESC=C.C=C(C)c1cccc(C)c1.CC
InChIInChI=1S/C10H12.C2H6.C2H4/c1-8(2)10-6-4-5-9(3)7-10;2*1-2/h4-7H,1H2,2-3H3;1-2H3;1-2H2
InChIKeyUJIJUKLJIBOFCJ-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.86
Rot. Bonds1

About ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene

ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene (PubChem CID 142829669) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
PubChem CID142829669
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nameethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
SMILESC=C.C=C(C)c1cccc(C)c1.CC
InChIInChI=1S/C10H12.C2H6.C2H4/c1-8(2)10-6-4-5-9(3)7-10;2*1-2/h4-7H,1H2,2-3H3;1-2H3;1-2H2
InChIKeyUJIJUKLJIBOFCJ-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.86
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

ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
(E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol
CID 143103335
N-[1-(3-methylphenyl)ethenyl]hydroxylamine
CID 142051233
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-prop-1-en-2-ylpyridine;1-methyl-3-prop-1-en-2-ylbenzene
CID 142200596
ethane;N-[(1Z)-3-(3-methylphenyl)buta-1,3-dienyl]propan-2-imine
CID 145022260
(E)-1-(3-methylphenyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]ethanimine
CID 138967495
CID 23599187
CID 23599187
1-methyl-3-[1-(3-methylbut-2-en-2-ylsulfanyl)ethenyl]benzene
CID 142235703
1-(3-methylphenyl)ethenylhydrazine
CID 129060271
CID 174102680
CID 174102680
prop-1-en-2-ylbenzene;silane
CID 174724970

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene?
The IUPAC name of ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene (CID 142829669) is ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene?
The canonical SMILES for ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene is C=C.C=C(C)c1cccc(C)c1.CC.
What is the InChIKey of ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene?
The InChIKey is UJIJUKLJIBOFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C2H6.C2H4/c1-8(2)10-6-4-5-9(3)7-10;2*1-2/h4-7H,1H2,2-3H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene?
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 142829669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).