1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane

C18H34O2 — CID 87509955

IUPAC1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane
SMILESC=COC(C)(C)C.CC(C)CC=COC=CC(C)(C)C
InChIInChI=1S/C12H22O.C6H12O/c1-11(2)7-6-9-13-10-8-12(3,4)5;1-5-7-6(2,3)4/h6,8-11H,7H2,1-5H3;5H,1H2,2-4H3
InChIKeyXXEQLVNHXBHHBU-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.07
Rot. Bonds5

About 1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane

1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane (PubChem CID 87509955) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane
PubChem CID87509955
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane
SMILESC=COC(C)(C)C.CC(C)CC=COC=CC(C)(C)C
InChIInChI=1S/C12H22O.C6H12O/c1-11(2)7-6-9-13-10-8-12(3,4)5;1-5-7-6(2,3)4/h6,8-11H,7H2,1-5H3;5H,1H2,2-4H3
InChIKeyXXEQLVNHXBHHBU-UHFFFAOYSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane?
The IUPAC name of 1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane (CID 87509955) is 1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane.
What is the SMILES notation for 1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane?
The canonical SMILES for 1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane is C=COC(C)(C)C.CC(C)CC=COC=CC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane?
The InChIKey is XXEQLVNHXBHHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C6H12O/c1-11(2)7-6-9-13-10-8-12(3,4)5;1-5-7-6(2,3)4/h6,8-11H,7H2,1-5H3;5H,1H2,2-4H3.
What are the key properties of 1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane?
1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane has a molecular weight of 282.47 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-enoxy)-4-methylpent-1-ene;2-ethenoxy-2-methylpropane is sourced from PubChem (CID 87509955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).