1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene

C19H30O — CID 89406215

IUPAC1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(/C=C/CC(C)(C)OC(C)(C)C)c1
InChIInChI=1S/C19H30O/c1-15(2)17-12-8-10-16(14-17)11-9-13-19(6,7)20-18(3,4)5/h8-12,14-15H,13H2,1-7H3/b11-9+
InChIKeyVICNWOLEXKXPSX-PKNBQFBNSA-N
MW274.45 g/mol
LogP5.81
Rot. Bonds5

About 1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene

1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene (PubChem CID 89406215) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene
PubChem CID89406215
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(/C=C/CC(C)(C)OC(C)(C)C)c1
InChIInChI=1S/C19H30O/c1-15(2)17-12-8-10-16(14-17)11-9-13-19(6,7)20-18(3,4)5/h8-12,14-15H,13H2,1-7H3/b11-9+
InChIKeyVICNWOLEXKXPSX-PKNBQFBNSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene?
The IUPAC name of 1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene (CID 89406215) is 1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene.
What is the SMILES notation for 1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene?
The canonical SMILES for 1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene is CC(C)c1cccc(/C=C/CC(C)(C)OC(C)(C)C)c1.
What is the InChIKey of 1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene?
The InChIKey is VICNWOLEXKXPSX-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H30O/c1-15(2)17-12-8-10-16(14-17)11-9-13-19(6,7)20-18(3,4)5/h8-12,14-15H,13H2,1-7H3/b11-9+.
What are the key properties of 1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene?
1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene has a molecular weight of 274.45 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-methyl-4-[(2-methylpropan-2-yl)oxy]pent-1-enyl]-3-propan-2-ylbenzene is sourced from PubChem (CID 89406215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).