2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene

C11H18O — CID 20816773

IUPAC2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene
SMILESC=C(C)COC(C(=C)C)C(=C)C
InChIInChI=1S/C11H18O/c1-8(2)7-12-11(9(3)4)10(5)6/h11H,1,3,5,7H2,2,4,6H3
InChIKeyNCPGAEXIMPOOOG-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.10
Rot. Bonds5

About 2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene

2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene (PubChem CID 20816773) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene.

Molecular Properties

Compound Name2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene
PubChem CID20816773
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene
SMILESC=C(C)COC(C(=C)C)C(=C)C
InChIInChI=1S/C11H18O/c1-8(2)7-12-11(9(3)4)10(5)6/h11H,1,3,5,7H2,2,4,6H3
InChIKeyNCPGAEXIMPOOOG-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.10
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 2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene?
The IUPAC name of 2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene (CID 20816773) is 2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene.
What is the SMILES notation for 2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene?
The canonical SMILES for 2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene is C=C(C)COC(C(=C)C)C(=C)C.
What is the InChIKey of 2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene?
The InChIKey is NCPGAEXIMPOOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)7-12-11(9(3)4)10(5)6/h11H,1,3,5,7H2,2,4,6H3.
What are the key properties of 2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene?
2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene has a molecular weight of 166.26 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(2-methylprop-2-enoxy)penta-1,4-diene is sourced from PubChem (CID 20816773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).