5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene

C23H38O — CID 166671522

IUPAC5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene
SMILESCc1cc(C(C)(C)C)cc(C)c1OC/C=C/CC(C)(C)C(C)(C)C
InChIInChI=1S/C23H38O/c1-17-15-19(21(3,4)5)16-18(2)20(17)24-14-12-11-13-23(9,10)22(6,7)8/h11-12,15-16H,13-14H2,1-10H3/b12-11+
InChIKeyMQGHGIQNWCYOQA-VAWYXSNFSA-N
MW330.56 g/mol
LogP7.00
Rot. Bonds5

About 5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene

5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene (PubChem CID 166671522) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene.

Molecular Properties

Compound Name5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene
PubChem CID166671522
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene
SMILESCc1cc(C(C)(C)C)cc(C)c1OC/C=C/CC(C)(C)C(C)(C)C
InChIInChI=1S/C23H38O/c1-17-15-19(21(3,4)5)16-18(2)20(17)24-14-12-11-13-23(9,10)22(6,7)8/h11-12,15-16H,13-14H2,1-10H3/b12-11+
InChIKeyMQGHGIQNWCYOQA-VAWYXSNFSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene?
The IUPAC name of 5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene (CID 166671522) is 5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene.
What is the SMILES notation for 5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene?
The canonical SMILES for 5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene is Cc1cc(C(C)(C)C)cc(C)c1OC/C=C/CC(C)(C)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene?
The InChIKey is MQGHGIQNWCYOQA-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H38O/c1-17-15-19(21(3,4)5)16-18(2)20(17)24-14-12-11-13-23(9,10)22(6,7)8/h11-12,15-16H,13-14H2,1-10H3/b12-11+.
What are the key properties of 5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene?
5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene has a molecular weight of 330.56 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene is sourced from PubChem (CID 166671522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).