1-(2-ethylbut-1-enoxy)heptane

C13H26O — CID 22234801

IUPAC1-(2-ethylbut-1-enoxy)heptane
SMILESCCCCCCCOC=C(CC)CC
InChIInChI=1S/C13H26O/c1-4-7-8-9-10-11-14-12-13(5-2)6-3/h12H,4-11H2,1-3H3
InChIKeyRHFVVYKEJSHTJS-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.68
Rot. Bonds9

About 1-(2-ethylbut-1-enoxy)heptane

1-(2-ethylbut-1-enoxy)heptane (PubChem CID 22234801) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2-ethylbut-1-enoxy)heptane.

Molecular Properties

Compound Name1-(2-ethylbut-1-enoxy)heptane
PubChem CID22234801
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-(2-ethylbut-1-enoxy)heptane
SMILESCCCCCCCOC=C(CC)CC
InChIInChI=1S/C13H26O/c1-4-7-8-9-10-11-14-12-13(5-2)6-3/h12H,4-11H2,1-3H3
InChIKeyRHFVVYKEJSHTJS-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbut-1-enoxy)heptane?
The IUPAC name of 1-(2-ethylbut-1-enoxy)heptane (CID 22234801) is 1-(2-ethylbut-1-enoxy)heptane.
What is the SMILES notation for 1-(2-ethylbut-1-enoxy)heptane?
The canonical SMILES for 1-(2-ethylbut-1-enoxy)heptane is CCCCCCCOC=C(CC)CC.
What is the InChIKey of 1-(2-ethylbut-1-enoxy)heptane?
The InChIKey is RHFVVYKEJSHTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-7-8-9-10-11-14-12-13(5-2)6-3/h12H,4-11H2,1-3H3.
What are the key properties of 1-(2-ethylbut-1-enoxy)heptane?
1-(2-ethylbut-1-enoxy)heptane has a molecular weight of 198.35 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbut-1-enoxy)heptane is sourced from PubChem (CID 22234801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).