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

C18H32 — CID 144517802

IUPACethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene
SMILESC=Cc1cccc(C)c1C(=C)C.CC.CC.CC
InChIInChI=1S/C12H14.3C2H6/c1-5-11-8-6-7-10(4)12(11)9(2)3;3*1-2/h5-8H,1-2H2,3-4H3;3*1-2H3
InChIKeyCTVXIZAPJCIOLX-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.75
Rot. Bonds2

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

ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene (PubChem CID 144517802) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene
PubChem CID144517802
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Nameethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene
SMILESC=Cc1cccc(C)c1C(=C)C.CC.CC.CC
InChIInChI=1S/C12H14.3C2H6/c1-5-11-8-6-7-10(4)12(11)9(2)3;3*1-2/h5-8H,1-2H2,3-4H3;3*1-2H3
InChIKeyCTVXIZAPJCIOLX-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-buta-1,3-dien-2-yl-1-ethenyl-3-methylbenzene
CID 145265911
1-ethenyl-2-methylbenzene;2-methylprop-1-ene;hydrobromide
CID 174713948
ethane;1-fluoro-3-methyl-2-prop-1-en-2-ylbenzene
CID 163302643
1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene
CID 174000600
ethane;bis(1-ethenyl-2-prop-1-en-2-ylbenzene)
CID 144540747
1-bromo-3-methyl-2-prop-1-en-2-ylbenzene
CID 139505974
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
CID 163302600
ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane
CID 143293542
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline
CID 143617144
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
CID 6454102
lithium;1-ethenyl-2-methylbenzene;hydride
CID 174441225

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene?
The IUPAC name of ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene (CID 144517802) is ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene?
The canonical SMILES for ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene is C=Cc1cccc(C)c1C(=C)C.CC.CC.CC.
What is the InChIKey of ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene?
The InChIKey is CTVXIZAPJCIOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.3C2H6/c1-5-11-8-6-7-10(4)12(11)9(2)3;3*1-2/h5-8H,1-2H2,3-4H3;3*1-2H3.
What are the key properties of ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene?
ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene has a molecular weight of 248.45 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 144517802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).