5,5-dichloropentyl formate

C6H10Cl2O2 — CID 18506663

IUPAC5,5-dichloropentyl formate
SMILESO=COCCCCC(Cl)Cl
InChIInChI=1S/C6H10Cl2O2/c7-6(8)3-1-2-4-10-5-9/h5-6H,1-4H2
InChIKeyPIEUMISOZQJRDV-UHFFFAOYSA-N
MW185.05 g/mol
LogP2.13
Rot. Bonds6

About 5,5-dichloropentyl formate

5,5-dichloropentyl formate (PubChem CID 18506663) has the molecular formula C6H10Cl2O2 and a molecular weight of 185.05 g/mol. Its IUPAC name is 5,5-dichloropentyl formate.

Molecular Properties

Compound Name5,5-dichloropentyl formate
PubChem CID18506663
Molecular FormulaC6H10Cl2O2
Molecular Weight185.05 g/mol
Exact Mass184.01
IUPAC Name5,5-dichloropentyl formate
SMILESO=COCCCCC(Cl)Cl
InChIInChI=1S/C6H10Cl2O2/c7-6(8)3-1-2-4-10-5-9/h5-6H,1-4H2
InChIKeyPIEUMISOZQJRDV-UHFFFAOYSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.05
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dichloropentyl formate?
The IUPAC name of 5,5-dichloropentyl formate (CID 18506663) is 5,5-dichloropentyl formate.
What is the SMILES notation for 5,5-dichloropentyl formate?
The canonical SMILES for 5,5-dichloropentyl formate is O=COCCCCC(Cl)Cl.
What is the InChIKey of 5,5-dichloropentyl formate?
The InChIKey is PIEUMISOZQJRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O2/c7-6(8)3-1-2-4-10-5-9/h5-6H,1-4H2.
What are the key properties of 5,5-dichloropentyl formate?
5,5-dichloropentyl formate has a molecular weight of 185.05 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloropentyl formate is sourced from PubChem (CID 18506663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).