1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene

C16H24O2 — CID 22131994

IUPAC1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC(C)(CCC)OCC)cc1
InChIInChI=1S/C16H24O2/c1-6-12-16(5,17-7-2)18-15-10-8-14(9-11-15)13(3)4/h8-11H,3,6-7,12H2,1-2,4-5H3
InChIKeyRHHVYSYKIKWRKC-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.65
Rot. Bonds7

About 1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene

1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene (PubChem CID 22131994) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
PubChem CID22131994
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC(C)(CCC)OCC)cc1
InChIInChI=1S/C16H24O2/c1-6-12-16(5,17-7-2)18-15-10-8-14(9-11-15)13(3)4/h8-11H,3,6-7,12H2,1-2,4-5H3
InChIKeyRHHVYSYKIKWRKC-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene (CID 22131994) is 1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(OC(C)(CCC)OCC)cc1.
What is the InChIKey of 1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene?
The InChIKey is RHHVYSYKIKWRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-6-12-16(5,17-7-2)18-15-10-8-14(9-11-15)13(3)4/h8-11H,3,6-7,12H2,1-2,4-5H3.
What are the key properties of 1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene?
1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene has a molecular weight of 248.37 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypentan-2-yloxy)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 22131994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).