1-[(E)-2-butoxyethenoxy]butane

C10H20O2 — CID 3033577

IUPAC1-[(E)-2-butoxyethenoxy]butane
SMILESCCCCO/C=C/OCCCC
InChIInChI=1S/C10H20O2/c1-3-5-7-11-9-10-12-8-6-4-2/h9-10H,3-8H2,1-2H3/b10-9+
InChIKeyXJSGGBRZXRTZQN-MDZDMXLPSA-N
MW172.27 g/mol
LogP3.09
Rot. Bonds8

About 1-[(E)-2-butoxyethenoxy]butane

1-[(E)-2-butoxyethenoxy]butane (PubChem CID 3033577) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[(E)-2-butoxyethenoxy]butane.

Molecular Properties

Compound Name1-[(E)-2-butoxyethenoxy]butane
PubChem CID3033577
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-[(E)-2-butoxyethenoxy]butane
SMILESCCCCO/C=C/OCCCC
InChIInChI=1S/C10H20O2/c1-3-5-7-11-9-10-12-8-6-4-2/h9-10H,3-8H2,1-2H3/b10-9+
InChIKeyXJSGGBRZXRTZQN-MDZDMXLPSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.09
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-[(E)-2-butoxyethenoxy]butane?
The IUPAC name of 1-[(E)-2-butoxyethenoxy]butane (CID 3033577) is 1-[(E)-2-butoxyethenoxy]butane.
What is the SMILES notation for 1-[(E)-2-butoxyethenoxy]butane?
The canonical SMILES for 1-[(E)-2-butoxyethenoxy]butane is CCCCO/C=C/OCCCC.
What is the InChIKey of 1-[(E)-2-butoxyethenoxy]butane?
The InChIKey is XJSGGBRZXRTZQN-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-7-11-9-10-12-8-6-4-2/h9-10H,3-8H2,1-2H3/b10-9+.
What are the key properties of 1-[(E)-2-butoxyethenoxy]butane?
1-[(E)-2-butoxyethenoxy]butane has a molecular weight of 172.27 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-butoxyethenoxy]butane is sourced from PubChem (CID 3033577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).