3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid

C11H19ClO5 — CID 57157934

IUPAC3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid
SMILESCOC1CCCC(OCCC(Cl)CC(=O)O)O1
InChIInChI=1S/C11H19ClO5/c1-15-10-3-2-4-11(17-10)16-6-5-8(12)7-9(13)14/h8,10-11H,2-7H2,1H3,(H,13,14)
InChIKeyHPYNCAMJTPAFRY-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.97
Rot. Bonds7

About 3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid

3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid (PubChem CID 57157934) has the molecular formula C11H19ClO5 and a molecular weight of 266.72 g/mol. Its IUPAC name is 3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid.

Molecular Properties

Compound Name3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid
PubChem CID57157934
Molecular FormulaC11H19ClO5
Molecular Weight266.72 g/mol
Exact Mass266.09
IUPAC Name3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid
SMILESCOC1CCCC(OCCC(Cl)CC(=O)O)O1
InChIInChI=1S/C11H19ClO5/c1-15-10-3-2-4-11(17-10)16-6-5-8(12)7-9(13)14/h8,10-11H,2-7H2,1H3,(H,13,14)
InChIKeyHPYNCAMJTPAFRY-UHFFFAOYSA-N
XLogP1.97
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid?
The IUPAC name of 3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid (CID 57157934) is 3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid.
What is the SMILES notation for 3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid?
The canonical SMILES for 3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid is COC1CCCC(OCCC(Cl)CC(=O)O)O1.
What is the InChIKey of 3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid?
The InChIKey is HPYNCAMJTPAFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO5/c1-15-10-3-2-4-11(17-10)16-6-5-8(12)7-9(13)14/h8,10-11H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid?
3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid has a molecular weight of 266.72 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(6-methoxyoxan-2-yl)oxypentanoic acid is sourced from PubChem (CID 57157934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).