(3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene

C11H16O — CID 168899282

IUPAC(3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene
SMILESC=C/C=C(\C=C)COC=C(C)C
InChIInChI=1S/C11H16O/c1-5-7-11(6-2)9-12-8-10(3)4/h5-8H,1-2,9H2,3-4H3/b11-7+
InChIKeyHQZPKNYOVMEBPF-YRNVUSSQSA-N
MW164.25 g/mol
LogP3.23
Rot. Bonds5

About (3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene

(3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene (PubChem CID 168899282) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene
PubChem CID168899282
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene
SMILESC=C/C=C(\C=C)COC=C(C)C
InChIInChI=1S/C11H16O/c1-5-7-11(6-2)9-12-8-10(3)4/h5-8H,1-2,9H2,3-4H3/b11-7+
InChIKeyHQZPKNYOVMEBPF-YRNVUSSQSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(ethoxymethyl)hexa-1,3,5-triene
CID 87413665
ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene
CID 154661218
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
1-(2-methylprop-1-enoxy)propan-2-one
CID 12741667
[(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dienyl] formate
CID 144761183
[(2E)-2-ethenylpenta-2,4-dienyl] 3-methylbutanoate
CID 164591650
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate
CID 177245835
4-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 145157561
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
CID 89020772

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene?
The IUPAC name of (3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene (CID 168899282) is (3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene.
What is the SMILES notation for (3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene?
The canonical SMILES for (3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene is C=C/C=C(\C=C)COC=C(C)C.
What is the InChIKey of (3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene?
The InChIKey is HQZPKNYOVMEBPF-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H16O/c1-5-7-11(6-2)9-12-8-10(3)4/h5-8H,1-2,9H2,3-4H3/b11-7+.
What are the key properties of (3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene?
(3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene has a molecular weight of 164.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene is sourced from PubChem (CID 168899282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).