1-(2-ethylbut-1-enoxy)hexane

C12H24O — CID 22234792

IUPAC1-(2-ethylbut-1-enoxy)hexane
SMILESCCCCCCOC=C(CC)CC
InChIInChI=1S/C12H24O/c1-4-7-8-9-10-13-11-12(5-2)6-3/h11H,4-10H2,1-3H3
InChIKeyBYJGSUCVHSNHSN-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.29
Rot. Bonds8

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

1-(2-ethylbut-1-enoxy)hexane (PubChem CID 22234792) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-(2-ethylbut-1-enoxy)hexane.

Molecular Properties

Compound Name1-(2-ethylbut-1-enoxy)hexane
PubChem CID22234792
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-(2-ethylbut-1-enoxy)hexane
SMILESCCCCCCOC=C(CC)CC
InChIInChI=1S/C12H24O/c1-4-7-8-9-10-13-11-12(5-2)6-3/h11H,4-10H2,1-3H3
InChIKeyBYJGSUCVHSNHSN-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.29
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)hexane?
The IUPAC name of 1-(2-ethylbut-1-enoxy)hexane (CID 22234792) is 1-(2-ethylbut-1-enoxy)hexane.
What is the SMILES notation for 1-(2-ethylbut-1-enoxy)hexane?
The canonical SMILES for 1-(2-ethylbut-1-enoxy)hexane is CCCCCCOC=C(CC)CC.
What is the InChIKey of 1-(2-ethylbut-1-enoxy)hexane?
The InChIKey is BYJGSUCVHSNHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-7-8-9-10-13-11-12(5-2)6-3/h11H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethylbut-1-enoxy)hexane?
1-(2-ethylbut-1-enoxy)hexane has a molecular weight of 184.32 g/mol, XLogP of 4.29, 8 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)hexane is sourced from PubChem (CID 22234792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).