ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene

C15H22 — CID 142494445

IUPACethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene
SMILESC=C.CC/C(C)=C(/C)c1ccc(C)cc1
InChIInChI=1S/C13H18.C2H4/c1-5-11(3)12(4)13-8-6-10(2)7-9-13;1-2/h6-9H,5H2,1-4H3;1-2H2/b12-11-;
InChIKeyPQLUGZUTBUOMHG-AFEZEDKISA-N
MW202.34 g/mol
LogP5.00
Rot. Bonds2

About ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene

ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene (PubChem CID 142494445) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene.

Molecular Properties

Compound Nameethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene
PubChem CID142494445
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Nameethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene
SMILESC=C.CC/C(C)=C(/C)c1ccc(C)cc1
InChIInChI=1S/C13H18.C2H4/c1-5-11(3)12(4)13-8-6-10(2)7-9-13;1-2/h6-9H,5H2,1-4H3;1-2H2/b12-11-;
InChIKeyPQLUGZUTBUOMHG-AFEZEDKISA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.34
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene?
The IUPAC name of ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene (CID 142494445) is ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene.
What is the SMILES notation for ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene?
The canonical SMILES for ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene is C=C.CC/C(C)=C(/C)c1ccc(C)cc1.
What is the InChIKey of ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene?
The InChIKey is PQLUGZUTBUOMHG-AFEZEDKISA-N. The full InChI is InChI=1S/C13H18.C2H4/c1-5-11(3)12(4)13-8-6-10(2)7-9-13;1-2/h6-9H,5H2,1-4H3;1-2H2/b12-11-;.
What are the key properties of ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene?
ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene has a molecular weight of 202.34 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methyl-4-[(Z)-3-methylpent-2-en-2-yl]benzene is sourced from PubChem (CID 142494445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).