1-(1-ethoxybutoxy)pentane

C11H24O2 — CID 53422437

IUPAC1-(1-ethoxybutoxy)pentane
SMILESCCCCCOC(CCC)OCC
InChIInChI=1S/C11H24O2/c1-4-7-8-10-13-11(9-5-2)12-6-3/h11H,4-10H2,1-3H3
InChIKeyOKBUMDOJWAYJPW-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.36
Rot. Bonds9

About 1-(1-ethoxybutoxy)pentane

1-(1-ethoxybutoxy)pentane (PubChem CID 53422437) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(1-ethoxybutoxy)pentane.

Molecular Properties

Compound Name1-(1-ethoxybutoxy)pentane
PubChem CID53422437
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-(1-ethoxybutoxy)pentane
SMILESCCCCCOC(CCC)OCC
InChIInChI=1S/C11H24O2/c1-4-7-8-10-13-11(9-5-2)12-6-3/h11H,4-10H2,1-3H3
InChIKeyOKBUMDOJWAYJPW-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxybutoxy)pentane?
The IUPAC name of 1-(1-ethoxybutoxy)pentane (CID 53422437) is 1-(1-ethoxybutoxy)pentane.
What is the SMILES notation for 1-(1-ethoxybutoxy)pentane?
The canonical SMILES for 1-(1-ethoxybutoxy)pentane is CCCCCOC(CCC)OCC.
What is the InChIKey of 1-(1-ethoxybutoxy)pentane?
The InChIKey is OKBUMDOJWAYJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-7-8-10-13-11(9-5-2)12-6-3/h11H,4-10H2,1-3H3.
What are the key properties of 1-(1-ethoxybutoxy)pentane?
1-(1-ethoxybutoxy)pentane has a molecular weight of 188.31 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxybutoxy)pentane is sourced from PubChem (CID 53422437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).