heptyl perchlorate

C7H15ClO4 — CID 15570363

IUPACheptyl perchlorate
SMILESCCCCCCCO[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C7H15ClO4/c1-2-3-4-5-6-7-12-8(9,10)11/h2-7H2,1H3
InChIKeyWEHZPKWTFDSYKC-UHFFFAOYSA-N
MW198.65 g/mol
LogP-1.13
Rot. Bonds7

About heptyl perchlorate

heptyl perchlorate (PubChem CID 15570363) has the molecular formula C7H15ClO4 and a molecular weight of 198.65 g/mol. Its IUPAC name is heptyl perchlorate.

Molecular Properties

Compound Nameheptyl perchlorate
PubChem CID15570363
Molecular FormulaC7H15ClO4
Molecular Weight198.65 g/mol
Exact Mass198.07
IUPAC Nameheptyl perchlorate
SMILESCCCCCCCO[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C7H15ClO4/c1-2-3-4-5-6-7-12-8(9,10)11/h2-7H2,1H3
InChIKeyWEHZPKWTFDSYKC-UHFFFAOYSA-N
XLogP-1.13
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze heptyl perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of heptyl perchlorate?
The IUPAC name of heptyl perchlorate (CID 15570363) is heptyl perchlorate.
What is the SMILES notation for heptyl perchlorate?
The canonical SMILES for heptyl perchlorate is CCCCCCCO[Cl+3]([O-])([O-])[O-].
What is the InChIKey of heptyl perchlorate?
The InChIKey is WEHZPKWTFDSYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO4/c1-2-3-4-5-6-7-12-8(9,10)11/h2-7H2,1H3.
What are the key properties of heptyl perchlorate?
heptyl perchlorate has a molecular weight of 198.65 g/mol, XLogP of -1.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl perchlorate is sourced from PubChem (CID 15570363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).