1-(2-methylprop-1-enoxy)hexane

C10H20O — CID 15032620

IUPAC1-(2-methylprop-1-enoxy)hexane
SMILESCCCCCCOC=C(C)C
InChIInChI=1S/C10H20O/c1-4-5-6-7-8-11-9-10(2)3/h9H,4-8H2,1-3H3
InChIKeyQGZHRILADZIMMI-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds6

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

1-(2-methylprop-1-enoxy)hexane (PubChem CID 15032620) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(2-methylprop-1-enoxy)hexane.

Molecular Properties

Compound Name1-(2-methylprop-1-enoxy)hexane
PubChem CID15032620
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-(2-methylprop-1-enoxy)hexane
SMILESCCCCCCOC=C(C)C
InChIInChI=1S/C10H20O/c1-4-5-6-7-8-11-9-10(2)3/h9H,4-8H2,1-3H3
InChIKeyQGZHRILADZIMMI-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.51
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)hexane?
The IUPAC name of 1-(2-methylprop-1-enoxy)hexane (CID 15032620) is 1-(2-methylprop-1-enoxy)hexane.
What is the SMILES notation for 1-(2-methylprop-1-enoxy)hexane?
The canonical SMILES for 1-(2-methylprop-1-enoxy)hexane is CCCCCCOC=C(C)C.
What is the InChIKey of 1-(2-methylprop-1-enoxy)hexane?
The InChIKey is QGZHRILADZIMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-5-6-7-8-11-9-10(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2-methylprop-1-enoxy)hexane?
1-(2-methylprop-1-enoxy)hexane has a molecular weight of 156.27 g/mol, XLogP of 3.51, 6 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)hexane is sourced from PubChem (CID 15032620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).