pentyl perchlorate

C5H11ClO4 — CID 12776839

IUPACpentyl perchlorate
SMILESCCCCCO[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C5H11ClO4/c1-2-3-4-5-10-6(7,8)9/h2-5H2,1H3
InChIKeyVOKYQMWLUWXKNL-UHFFFAOYSA-N
MW170.59 g/mol
LogP-1.91
Rot. Bonds5

About pentyl perchlorate

pentyl perchlorate (PubChem CID 12776839) has the molecular formula C5H11ClO4 and a molecular weight of 170.59 g/mol. Its IUPAC name is pentyl perchlorate.

Molecular Properties

Compound Namepentyl perchlorate
PubChem CID12776839
Molecular FormulaC5H11ClO4
Molecular Weight170.59 g/mol
Exact Mass170.03
IUPAC Namepentyl perchlorate
SMILESCCCCCO[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C5H11ClO4/c1-2-3-4-5-10-6(7,8)9/h2-5H2,1H3
InChIKeyVOKYQMWLUWXKNL-UHFFFAOYSA-N
XLogP-1.91
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 5-1.91
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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Related Compounds

Hexane perchlorate
CID 12776840
Amylhypochlorit
CID 13752034
Pentyl sulfurochloridoite
CID 71389966
n-Butylchlorate
CID 129728781
Chloro(pentyloxy)magnesium
CID 113484
Magnesium;pentan-1-olate;chloride
CID 57357122
CID 5486000
CID 5486000
Pentyl peroxy radical
CID 142920
Butyl perchlorate
CID 12776838
Pentan-1-olate
CID 13076479
CID 60031101
CID 60031101
1-Oxidooxypentane
CID 60075936

Frequently Asked Questions

What is the IUPAC name of pentyl perchlorate?
The IUPAC name of pentyl perchlorate (CID 12776839) is pentyl perchlorate.
What is the SMILES notation for pentyl perchlorate?
The canonical SMILES for pentyl perchlorate is CCCCCO[Cl+3]([O-])([O-])[O-].
What is the InChIKey of pentyl perchlorate?
The InChIKey is VOKYQMWLUWXKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO4/c1-2-3-4-5-10-6(7,8)9/h2-5H2,1H3.
What are the key properties of pentyl perchlorate?
pentyl perchlorate has a molecular weight of 170.59 g/mol, XLogP of -1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl perchlorate is sourced from PubChem (CID 12776839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).