ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane

C14H22 — CID 143293542

IUPACethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane
SMILESC.C=Cc1ccccc1C(=C)C.CC
InChIInChI=1S/C11H12.C2H6.CH4/c1-4-10-7-5-6-8-11(10)9(2)3;1-2;/h4-8H,1-2H2,3H3;1-2H3;1H4
InChIKeyGDDISBQILZLIFU-UHFFFAOYSA-N
MW190.33 g/mol
LogP5.03
Rot. Bonds2

About ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane

ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane (PubChem CID 143293542) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane.

Molecular Properties

Compound Nameethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane
PubChem CID143293542
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nameethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane
SMILESC.C=Cc1ccccc1C(=C)C.CC
InChIInChI=1S/C11H12.C2H6.CH4/c1-4-10-7-5-6-8-11(10)9(2)3;1-2;/h4-8H,1-2H2,3H3;1-2H3;1H4
InChIKeyGDDISBQILZLIFU-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500190.33
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane?
The IUPAC name of ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane (CID 143293542) is ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane.
What is the SMILES notation for ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane?
The canonical SMILES for ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane is C.C=Cc1ccccc1C(=C)C.CC.
What is the InChIKey of ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane?
The InChIKey is GDDISBQILZLIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.C2H6.CH4/c1-4-10-7-5-6-8-11(10)9(2)3;1-2;/h4-8H,1-2H2,3H3;1-2H3;1H4.
What are the key properties of ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane?
ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane has a molecular weight of 190.33 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-2-prop-1-en-2-ylbenzene;methane is sourced from PubChem (CID 143293542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).