4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene

C16H22O — CID 145079777

IUPAC4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene
SMILESC=CCOc1cc(C(C)(C)C)ccc1CC=C
InChIInChI=1S/C16H22O/c1-6-8-13-9-10-14(16(3,4)5)12-15(13)17-11-7-2/h6-7,9-10,12H,1-2,8,11H2,3-5H3
InChIKeySUOLCKRPXKDZKW-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.28
Rot. Bonds5

About 4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene

4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene (PubChem CID 145079777) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene.

Molecular Properties

Compound Name4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene
PubChem CID145079777
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene
SMILESC=CCOc1cc(C(C)(C)C)ccc1CC=C
InChIInChI=1S/C16H22O/c1-6-8-13-9-10-14(16(3,4)5)12-15(13)17-11-7-2/h6-7,9-10,12H,1-2,8,11H2,3-5H3
InChIKeySUOLCKRPXKDZKW-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.28
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 4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene?
The IUPAC name of 4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene (CID 145079777) is 4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene.
What is the SMILES notation for 4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene?
The canonical SMILES for 4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene is C=CCOc1cc(C(C)(C)C)ccc1CC=C.
What is the InChIKey of 4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene?
The InChIKey is SUOLCKRPXKDZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-6-8-13-9-10-14(16(3,4)5)12-15(13)17-11-7-2/h6-7,9-10,12H,1-2,8,11H2,3-5H3.
What are the key properties of 4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene?
4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene has a molecular weight of 230.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene is sourced from PubChem (CID 145079777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).