tris(cyclopentane);hydroxy(dioxo)vanadium

C15H28O3V-3 — CID 88643624

IUPACtris(cyclopentane);hydroxy(dioxo)vanadium
SMILESO=[V](=O)O.[CH-]1CCCC1.[CH-]1CCCC1.[CH-]1CCCC1
InChIInChI=1S/3C5H9.H2O.2O.V/c3*1-2-4-5-3-1;;;;/h3*1H,2-5H2;1H2;;;/q3*-1;;;;+1/p-1
InChIKeyVCPFBFFRJRTCBH-UHFFFAOYSA-M
MW307.33 g/mol
LogP4.50
Rot. Bonds

About tris(cyclopentane);hydroxy(dioxo)vanadium

tris(cyclopentane);hydroxy(dioxo)vanadium (PubChem CID 88643624) has the molecular formula C15H28O3V-3 and a molecular weight of 307.33 g/mol. Its IUPAC name is tris(cyclopentane);hydroxy(dioxo)vanadium.

Molecular Properties

Compound Nametris(cyclopentane);hydroxy(dioxo)vanadium
PubChem CID88643624
Molecular FormulaC15H28O3V-3
Molecular Weight307.33 g/mol
Exact Mass307.15
IUPAC Nametris(cyclopentane);hydroxy(dioxo)vanadium
SMILESO=[V](=O)O.[CH-]1CCCC1.[CH-]1CCCC1.[CH-]1CCCC1
InChIInChI=1S/3C5H9.H2O.2O.V/c3*1-2-4-5-3-1;;;;/h3*1H,2-5H2;1H2;;;/q3*-1;;;;+1/p-1
InChIKeyVCPFBFFRJRTCBH-UHFFFAOYSA-M
XLogP4.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(cyclopentane);hydroxy(dioxo)vanadium?
The IUPAC name of tris(cyclopentane);hydroxy(dioxo)vanadium (CID 88643624) is tris(cyclopentane);hydroxy(dioxo)vanadium.
What is the SMILES notation for tris(cyclopentane);hydroxy(dioxo)vanadium?
The canonical SMILES for tris(cyclopentane);hydroxy(dioxo)vanadium is O=[V](=O)O.[CH-]1CCCC1.[CH-]1CCCC1.[CH-]1CCCC1.
What is the InChIKey of tris(cyclopentane);hydroxy(dioxo)vanadium?
The InChIKey is VCPFBFFRJRTCBH-UHFFFAOYSA-M. The full InChI is InChI=1S/3C5H9.H2O.2O.V/c3*1-2-4-5-3-1;;;;/h3*1H,2-5H2;1H2;;;/q3*-1;;;;+1/p-1.
What are the key properties of tris(cyclopentane);hydroxy(dioxo)vanadium?
tris(cyclopentane);hydroxy(dioxo)vanadium has a molecular weight of 307.33 g/mol, XLogP of 4.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclopentane);hydroxy(dioxo)vanadium is sourced from PubChem (CID 88643624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).