1-chloro-4-ethoxypentane

C7H15ClO — CID 90797429

IUPAC1-chloro-4-ethoxypentane
SMILESCCOC(C)CCCCl
InChIInChI=1S/C7H15ClO/c1-3-9-7(2)5-4-6-8/h7H,3-6H2,1-2H3
InChIKeyXXUFQFFEDCRLGS-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.43
Rot. Bonds5

About 1-chloro-4-ethoxypentane

1-chloro-4-ethoxypentane (PubChem CID 90797429) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 1-chloro-4-ethoxypentane.

Molecular Properties

Compound Name1-chloro-4-ethoxypentane
PubChem CID90797429
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name1-chloro-4-ethoxypentane
SMILESCCOC(C)CCCCl
InChIInChI=1S/C7H15ClO/c1-3-9-7(2)5-4-6-8/h7H,3-6H2,1-2H3
InChIKeyXXUFQFFEDCRLGS-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethoxypentane?
The IUPAC name of 1-chloro-4-ethoxypentane (CID 90797429) is 1-chloro-4-ethoxypentane.
What is the SMILES notation for 1-chloro-4-ethoxypentane?
The canonical SMILES for 1-chloro-4-ethoxypentane is CCOC(C)CCCCl.
What is the InChIKey of 1-chloro-4-ethoxypentane?
The InChIKey is XXUFQFFEDCRLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-3-9-7(2)5-4-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-chloro-4-ethoxypentane?
1-chloro-4-ethoxypentane has a molecular weight of 150.65 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethoxypentane is sourced from PubChem (CID 90797429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).