hexyl perchlorate

C6H13ClO4 — CID 12776840

IUPAChexyl perchlorate
SMILESCCCCCCO[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C6H13ClO4/c1-2-3-4-5-6-11-7(8,9)10/h2-6H2,1H3
InChIKeyDVTKZJQGRWJLLV-UHFFFAOYSA-N
MW184.62 g/mol
LogP-1.52
Rot. Bonds6

About hexyl perchlorate

hexyl perchlorate (PubChem CID 12776840) has the molecular formula C6H13ClO4 and a molecular weight of 184.62 g/mol. Its IUPAC name is hexyl perchlorate.

Molecular Properties

Compound Namehexyl perchlorate
PubChem CID12776840
Molecular FormulaC6H13ClO4
Molecular Weight184.62 g/mol
Exact Mass184.05
IUPAC Namehexyl perchlorate
SMILESCCCCCCO[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C6H13ClO4/c1-2-3-4-5-6-11-7(8,9)10/h2-6H2,1H3
InChIKeyDVTKZJQGRWJLLV-UHFFFAOYSA-N
XLogP-1.52
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 5-1.52
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

Perchloric acid pentyl ester
CID 12776839
Chlorhexoxyd
CID 21567848
Tetraoxadecane
CID 54211216
n-Heptyl perchlorate
CID 15570363
Hexan-1-olate
CID 22606972
6-Chlorooxyhexyl hypochlorite
CID 57114882
1-Oxidooxyhexane
CID 59678761
CID 59953884
CID 59953884
Hexyl sulfurochloridoite
CID 71389965
CID 87375341
CID 87375341
1-(Trioxidanylperoxyperoxy)hexane
CID 87415188
1-(Trioxidanylperoxy)hexane
CID 88956147

Frequently Asked Questions

What is the IUPAC name of hexyl perchlorate?
The IUPAC name of hexyl perchlorate (CID 12776840) is hexyl perchlorate.
What is the SMILES notation for hexyl perchlorate?
The canonical SMILES for hexyl perchlorate is CCCCCCO[Cl+3]([O-])([O-])[O-].
What is the InChIKey of hexyl perchlorate?
The InChIKey is DVTKZJQGRWJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO4/c1-2-3-4-5-6-11-7(8,9)10/h2-6H2,1H3.
What are the key properties of hexyl perchlorate?
hexyl perchlorate has a molecular weight of 184.62 g/mol, XLogP of -1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl perchlorate is sourced from PubChem (CID 12776840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).