1,2-ditert-butyl-4-(1-methoxyethenyl)benzene

C17H26O — CID 167641415

IUPAC1,2-ditert-butyl-4-(1-methoxyethenyl)benzene
SMILESC=C(OC)c1ccc(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C17H26O/c1-12(18-8)13-9-10-14(16(2,3)4)15(11-13)17(5,6)7/h9-11H,1H2,2-8H3
InChIKeyOYNKJQADWJRCDP-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.90
Rot. Bonds2

About 1,2-ditert-butyl-4-(1-methoxyethenyl)benzene

1,2-ditert-butyl-4-(1-methoxyethenyl)benzene (PubChem CID 167641415) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-(1-methoxyethenyl)benzene.

Molecular Properties

Compound Name1,2-ditert-butyl-4-(1-methoxyethenyl)benzene
PubChem CID167641415
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1,2-ditert-butyl-4-(1-methoxyethenyl)benzene
SMILESC=C(OC)c1ccc(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C17H26O/c1-12(18-8)13-9-10-14(16(2,3)4)15(11-13)17(5,6)7/h9-11H,1H2,2-8H3
InChIKeyOYNKJQADWJRCDP-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-(1-methoxyethenyl)benzene?
The IUPAC name of 1,2-ditert-butyl-4-(1-methoxyethenyl)benzene (CID 167641415) is 1,2-ditert-butyl-4-(1-methoxyethenyl)benzene.
What is the SMILES notation for 1,2-ditert-butyl-4-(1-methoxyethenyl)benzene?
The canonical SMILES for 1,2-ditert-butyl-4-(1-methoxyethenyl)benzene is C=C(OC)c1ccc(C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 1,2-ditert-butyl-4-(1-methoxyethenyl)benzene?
The InChIKey is OYNKJQADWJRCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-12(18-8)13-9-10-14(16(2,3)4)15(11-13)17(5,6)7/h9-11H,1H2,2-8H3.
What are the key properties of 1,2-ditert-butyl-4-(1-methoxyethenyl)benzene?
1,2-ditert-butyl-4-(1-methoxyethenyl)benzene has a molecular weight of 246.39 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-(1-methoxyethenyl)benzene is sourced from PubChem (CID 167641415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).