1-[2-(2-methylprop-1-enoxy)ethoxy]butane

C10H20O2 — CID 22234797

IUPAC1-[2-(2-methylprop-1-enoxy)ethoxy]butane
SMILESCCCCOCCOC=C(C)C
InChIInChI=1S/C10H20O2/c1-4-5-6-11-7-8-12-9-10(2)3/h9H,4-8H2,1-3H3
InChIKeyDYAKCWFIRGZDCA-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds7

About 1-[2-(2-methylprop-1-enoxy)ethoxy]butane

1-[2-(2-methylprop-1-enoxy)ethoxy]butane (PubChem CID 22234797) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[2-(2-methylprop-1-enoxy)ethoxy]butane.

Molecular Properties

Compound Name1-[2-(2-methylprop-1-enoxy)ethoxy]butane
PubChem CID22234797
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-[2-(2-methylprop-1-enoxy)ethoxy]butane
SMILESCCCCOCCOC=C(C)C
InChIInChI=1S/C10H20O2/c1-4-5-6-11-7-8-12-9-10(2)3/h9H,4-8H2,1-3H3
InChIKeyDYAKCWFIRGZDCA-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-methylprop-1-enoxy)ethoxy]butane?
The IUPAC name of 1-[2-(2-methylprop-1-enoxy)ethoxy]butane (CID 22234797) is 1-[2-(2-methylprop-1-enoxy)ethoxy]butane.
What is the SMILES notation for 1-[2-(2-methylprop-1-enoxy)ethoxy]butane?
The canonical SMILES for 1-[2-(2-methylprop-1-enoxy)ethoxy]butane is CCCCOCCOC=C(C)C.
What is the InChIKey of 1-[2-(2-methylprop-1-enoxy)ethoxy]butane?
The InChIKey is DYAKCWFIRGZDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-11-7-8-12-9-10(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-[2-(2-methylprop-1-enoxy)ethoxy]butane?
1-[2-(2-methylprop-1-enoxy)ethoxy]butane has a molecular weight of 172.27 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-1-enoxy)ethoxy]butane is sourced from PubChem (CID 22234797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).