1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene

C16H24O — CID 143947910

IUPAC1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene
SMILESC=Cc1cc(C(C)(C)C)c(CC)c(C)c1OC
InChIInChI=1S/C16H24O/c1-8-12-10-14(16(4,5)6)13(9-2)11(3)15(12)17-7/h8,10H,1,9H2,2-7H3
InChIKeyLYQFVYLHNBOZAV-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.51
Rot. Bonds3

About 1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene

1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene (PubChem CID 143947910) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene.

Molecular Properties

Compound Name1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene
PubChem CID143947910
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene
SMILESC=Cc1cc(C(C)(C)C)c(CC)c(C)c1OC
InChIInChI=1S/C16H24O/c1-8-12-10-14(16(4,5)6)13(9-2)11(3)15(12)17-7/h8,10H,1,9H2,2-7H3
InChIKeyLYQFVYLHNBOZAV-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene?
The IUPAC name of 1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene (CID 143947910) is 1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene.
What is the SMILES notation for 1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene?
The canonical SMILES for 1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene is C=Cc1cc(C(C)(C)C)c(CC)c(C)c1OC.
What is the InChIKey of 1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene?
The InChIKey is LYQFVYLHNBOZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-8-12-10-14(16(4,5)6)13(9-2)11(3)15(12)17-7/h8,10H,1,9H2,2-7H3.
What are the key properties of 1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene?
1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-ethenyl-2-ethyl-4-methoxy-3-methylbenzene is sourced from PubChem (CID 143947910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).