1-(2-methylprop-1-enoxy)butane

C8H16O — CID 12512191

IUPAC1-(2-methylprop-1-enoxy)butane
SMILESCCCCOC=C(C)C
InChIInChI=1S/C8H16O/c1-4-5-6-9-7-8(2)3/h7H,4-6H2,1-3H3
InChIKeyUFGASZVVPILDSD-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds4

About 1-(2-methylprop-1-enoxy)butane

1-(2-methylprop-1-enoxy)butane (PubChem CID 12512191) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-(2-methylprop-1-enoxy)butane.

Molecular Properties

Compound Name1-(2-methylprop-1-enoxy)butane
PubChem CID12512191
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-(2-methylprop-1-enoxy)butane
SMILESCCCCOC=C(C)C
InChIInChI=1S/C8H16O/c1-4-5-6-9-7-8(2)3/h7H,4-6H2,1-3H3
InChIKeyUFGASZVVPILDSD-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.73
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-methylprop-1-enoxy)butane?
The IUPAC name of 1-(2-methylprop-1-enoxy)butane (CID 12512191) is 1-(2-methylprop-1-enoxy)butane.
What is the SMILES notation for 1-(2-methylprop-1-enoxy)butane?
The canonical SMILES for 1-(2-methylprop-1-enoxy)butane is CCCCOC=C(C)C.
What is the InChIKey of 1-(2-methylprop-1-enoxy)butane?
The InChIKey is UFGASZVVPILDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-9-7-8(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-(2-methylprop-1-enoxy)butane?
1-(2-methylprop-1-enoxy)butane has a molecular weight of 128.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enoxy)butane is sourced from PubChem (CID 12512191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).