cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol)

C11H21O3V- — CID 174780780

IUPACcyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.O=[V].[C-]1=CC=CC1
InChIInChI=1S/C5H5.2C3H8O.O.V/c1-2-4-5-3-1;2*1-3(2)4;;/h1-3H,4H2;2*3-4H,1-2H3;;/q-1;;;;
InChIKeyOCBUTXSHTCSLOE-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.96
Rot. Bonds

About cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol)

cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol) (PubChem CID 174780780) has the molecular formula C11H21O3V- and a molecular weight of 252.23 g/mol. Its IUPAC name is cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol).

Molecular Properties

Compound Namecyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol)
PubChem CID174780780
Molecular FormulaC11H21O3V-
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Namecyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.O=[V].[C-]1=CC=CC1
InChIInChI=1S/C5H5.2C3H8O.O.V/c1-2-4-5-3-1;2*1-3(2)4;;/h1-3H,4H2;2*3-4H,1-2H3;;/q-1;;;;
InChIKeyOCBUTXSHTCSLOE-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;cyclopenta-1,3-diene;propan-2-ol;zirconium(3+)
CID 22676437
bis(cyclopenta-1,3-diene);iron(2+);methanol
CID 175123773
carbanide;cyclopenta-1,3-diene;tris(propan-2-olate);titanium(3+)
CID 22596603
cyclopenta-1,3-diene;bis(propan-2-ylazanide);vanadium(4+);chloride
CID 173256984
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cyclopenta-1,3-diene;formaldehyde;iron
CID 87235438
chromium;cyclopenta-1,3-diene;formaldehyde
CID 88762520
cyclopenta-1,3-diene;formaldehyde;tungsten
CID 88762361
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol)?
The IUPAC name of cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol) (CID 174780780) is cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol).
What is the SMILES notation for cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol)?
The canonical SMILES for cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol) is CC(C)O.CC(C)O.O=[V].[C-]1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol)?
The InChIKey is OCBUTXSHTCSLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C3H8O.O.V/c1-2-4-5-3-1;2*1-3(2)4;;/h1-3H,4H2;2*3-4H,1-2H3;;/q-1;;;;.
What are the key properties of cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol)?
cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol) has a molecular weight of 252.23 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;oxovanadium;bis(propan-2-ol) is sourced from PubChem (CID 174780780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).