1-ethoxy-3-propan-2-yloxybutane

C9H20O2 — CID 154176409

IUPAC1-ethoxy-3-propan-2-yloxybutane
SMILESCCOCCC(C)OC(C)C
InChIInChI=1S/C9H20O2/c1-5-10-7-6-9(4)11-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyQOTOXELDMLYBSP-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds6

About 1-ethoxy-3-propan-2-yloxybutane

1-ethoxy-3-propan-2-yloxybutane (PubChem CID 154176409) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-ethoxy-3-propan-2-yloxybutane.

Molecular Properties

Compound Name1-ethoxy-3-propan-2-yloxybutane
PubChem CID154176409
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-ethoxy-3-propan-2-yloxybutane
SMILESCCOCCC(C)OC(C)C
InChIInChI=1S/C9H20O2/c1-5-10-7-6-9(4)11-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyQOTOXELDMLYBSP-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-ethoxy-3-propan-2-yloxybutane?
The IUPAC name of 1-ethoxy-3-propan-2-yloxybutane (CID 154176409) is 1-ethoxy-3-propan-2-yloxybutane.
What is the SMILES notation for 1-ethoxy-3-propan-2-yloxybutane?
The canonical SMILES for 1-ethoxy-3-propan-2-yloxybutane is CCOCCC(C)OC(C)C.
What is the InChIKey of 1-ethoxy-3-propan-2-yloxybutane?
The InChIKey is QOTOXELDMLYBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-10-7-6-9(4)11-8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-ethoxy-3-propan-2-yloxybutane?
1-ethoxy-3-propan-2-yloxybutane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-propan-2-yloxybutane is sourced from PubChem (CID 154176409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).