chromium(3+);cyclopenta-1,3-diene;ethanolate

C9H15CrO2 — CID 19020907

IUPACchromium(3+);cyclopenta-1,3-diene;ethanolate
SMILESCC[O-].CC[O-].[C-]1=CC=CC1.[Cr+3]
InChIInChI=1S/C5H5.2C2H5O.Cr/c1-2-4-5-3-1;2*1-2-3;/h1-3H,4H2;2*2H2,1H3;/q3*-1;+3
InChIKeyZAQHLHBJALSJFK-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.04
Rot. Bonds

About chromium(3+);cyclopenta-1,3-diene;ethanolate

chromium(3+);cyclopenta-1,3-diene;ethanolate (PubChem CID 19020907) has the molecular formula C9H15CrO2 and a molecular weight of 207.21 g/mol. Its IUPAC name is chromium(3+);cyclopenta-1,3-diene;ethanolate.

Molecular Properties

Compound Namechromium(3+);cyclopenta-1,3-diene;ethanolate
PubChem CID19020907
Molecular FormulaC9H15CrO2
Molecular Weight207.21 g/mol
Exact Mass207.05
IUPAC Namechromium(3+);cyclopenta-1,3-diene;ethanolate
SMILESCC[O-].CC[O-].[C-]1=CC=CC1.[Cr+3]
InChIInChI=1S/C5H5.2C2H5O.Cr/c1-2-4-5-3-1;2*1-2-3;/h1-3H,4H2;2*2H2,1H3;/q3*-1;+3
InChIKeyZAQHLHBJALSJFK-UHFFFAOYSA-N
XLogP0.04
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.04
H-Bond Donors ≤ 50
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 chromium(3+);cyclopenta-1,3-diene;ethanolate?
The IUPAC name of chromium(3+);cyclopenta-1,3-diene;ethanolate (CID 19020907) is chromium(3+);cyclopenta-1,3-diene;ethanolate.
What is the SMILES notation for chromium(3+);cyclopenta-1,3-diene;ethanolate?
The canonical SMILES for chromium(3+);cyclopenta-1,3-diene;ethanolate is CC[O-].CC[O-].[C-]1=CC=CC1.[Cr+3].
What is the InChIKey of chromium(3+);cyclopenta-1,3-diene;ethanolate?
The InChIKey is ZAQHLHBJALSJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C2H5O.Cr/c1-2-4-5-3-1;2*1-2-3;/h1-3H,4H2;2*2H2,1H3;/q3*-1;+3.
What are the key properties of chromium(3+);cyclopenta-1,3-diene;ethanolate?
chromium(3+);cyclopenta-1,3-diene;ethanolate has a molecular weight of 207.21 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);cyclopenta-1,3-diene;ethanolate is sourced from PubChem (CID 19020907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).