butyl perchlorate

C4H9ClO4 — CID 12776838

IUPACbutyl perchlorate
SMILESCCCCO[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H9ClO4/c1-2-3-4-9-5(6,7)8/h2-4H2,1H3
InChIKeyRXOFZQSGVJHUDI-UHFFFAOYSA-N
MW156.56 g/mol
LogP-2.30
Rot. Bonds4

About butyl perchlorate

butyl perchlorate (PubChem CID 12776838) has the molecular formula C4H9ClO4 and a molecular weight of 156.56 g/mol. Its IUPAC name is butyl perchlorate.

Molecular Properties

Compound Namebutyl perchlorate
PubChem CID12776838
Molecular FormulaC4H9ClO4
Molecular Weight156.56 g/mol
Exact Mass156.02
IUPAC Namebutyl perchlorate
SMILESCCCCO[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C4H9ClO4/c1-2-3-4-9-5(6,7)8/h2-4H2,1H3
InChIKeyRXOFZQSGVJHUDI-UHFFFAOYSA-N
XLogP-2.30
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.56
LogP ≤ 5-2.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 butyl perchlorate?
The IUPAC name of butyl perchlorate (CID 12776838) is butyl perchlorate.
What is the SMILES notation for butyl perchlorate?
The canonical SMILES for butyl perchlorate is CCCCO[Cl+3]([O-])([O-])[O-].
What is the InChIKey of butyl perchlorate?
The InChIKey is RXOFZQSGVJHUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO4/c1-2-3-4-9-5(6,7)8/h2-4H2,1H3.
What are the key properties of butyl perchlorate?
butyl perchlorate has a molecular weight of 156.56 g/mol, XLogP of -2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl perchlorate is sourced from PubChem (CID 12776838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).