1-(2-propoxyethoxy)butane

C9H20O2 — CID 18943042

IUPAC1-(2-propoxyethoxy)butane
SMILESCCCCOCCOCCC
InChIInChI=1S/C9H20O2/c1-3-5-7-11-9-8-10-6-4-2/h3-9H2,1-2H3
InChIKeyZCBZQEYJWBUONO-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds8

About 1-(2-propoxyethoxy)butane

1-(2-propoxyethoxy)butane (PubChem CID 18943042) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(2-propoxyethoxy)butane.

Molecular Properties

Compound Name1-(2-propoxyethoxy)butane
PubChem CID18943042
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-(2-propoxyethoxy)butane
SMILESCCCCOCCOCCC
InChIInChI=1S/C9H20O2/c1-3-5-7-11-9-8-10-6-4-2/h3-9H2,1-2H3
InChIKeyZCBZQEYJWBUONO-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethoxy)butane?
The IUPAC name of 1-(2-propoxyethoxy)butane (CID 18943042) is 1-(2-propoxyethoxy)butane.
What is the SMILES notation for 1-(2-propoxyethoxy)butane?
The canonical SMILES for 1-(2-propoxyethoxy)butane is CCCCOCCOCCC.
What is the InChIKey of 1-(2-propoxyethoxy)butane?
The InChIKey is ZCBZQEYJWBUONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-3-5-7-11-9-8-10-6-4-2/h3-9H2,1-2H3.
What are the key properties of 1-(2-propoxyethoxy)butane?
1-(2-propoxyethoxy)butane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethoxy)butane is sourced from PubChem (CID 18943042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).