pentyl hypochlorite;vanadium

C5H11ClOV — CID 88841414

IUPACpentyl hypochlorite;vanadium
SMILESCCCCCOCl.[V]
InChIInChI=1S/C5H11ClO.V/c1-2-3-4-5-7-6;/h2-5H2,1H3;
InChIKeyCHLRCHBMOWFSCP-UHFFFAOYSA-N
MW173.54 g/mol
LogP2.34
Rot. Bonds4

About pentyl hypochlorite;vanadium

pentyl hypochlorite;vanadium (PubChem CID 88841414) has the molecular formula C5H11ClOV and a molecular weight of 173.54 g/mol. Its IUPAC name is pentyl hypochlorite;vanadium.

Molecular Properties

Compound Namepentyl hypochlorite;vanadium
PubChem CID88841414
Molecular FormulaC5H11ClOV
Molecular Weight173.54 g/mol
Exact Mass172.99
IUPAC Namepentyl hypochlorite;vanadium
SMILESCCCCCOCl.[V]
InChIInChI=1S/C5H11ClO.V/c1-2-3-4-5-7-6;/h2-5H2,1H3;
InChIKeyCHLRCHBMOWFSCP-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.54
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze pentyl hypochlorite;vanadium 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 pentyl hypochlorite;vanadium?
The IUPAC name of pentyl hypochlorite;vanadium (CID 88841414) is pentyl hypochlorite;vanadium.
What is the SMILES notation for pentyl hypochlorite;vanadium?
The canonical SMILES for pentyl hypochlorite;vanadium is CCCCCOCl.[V].
What is the InChIKey of pentyl hypochlorite;vanadium?
The InChIKey is CHLRCHBMOWFSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO.V/c1-2-3-4-5-7-6;/h2-5H2,1H3;.
What are the key properties of pentyl hypochlorite;vanadium?
pentyl hypochlorite;vanadium has a molecular weight of 173.54 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl hypochlorite;vanadium is sourced from PubChem (CID 88841414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).