2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium

C8H13NbO3- — CID 155656379

IUPAC2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium
SMILESCO.O=[Nb].OCCc1ccc[cH-]1
InChIInChI=1S/C7H9O.CH4O.Nb.O/c8-6-5-7-3-1-2-4-7;1-2;;/h1-4,8H,5-6H2;2H,1H3;;/q-1;;;
InChIKeyMIQQKMCZGZFDJY-UHFFFAOYSA-N
MW250.09 g/mol
LogP0.43
Rot. Bonds2

About 2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium

2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium (PubChem CID 155656379) has the molecular formula C8H13NbO3- and a molecular weight of 250.09 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium
PubChem CID155656379
Molecular FormulaC8H13NbO3-
Molecular Weight250.09 g/mol
Exact Mass249.99
IUPAC Name2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium
SMILESCO.O=[Nb].OCCc1ccc[cH-]1
InChIInChI=1S/C7H9O.CH4O.Nb.O/c8-6-5-7-3-1-2-4-7;1-2;;/h1-4,8H,5-6H2;2H,1H3;;/q-1;;;
InChIKeyMIQQKMCZGZFDJY-UHFFFAOYSA-N
XLogP0.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium?
The IUPAC name of 2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium (CID 155656379) is 2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium is CO.O=[Nb].OCCc1ccc[cH-]1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium?
The InChIKey is MIQQKMCZGZFDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O.CH4O.Nb.O/c8-6-5-7-3-1-2-4-7;1-2;;/h1-4,8H,5-6H2;2H,1H3;;/q-1;;;.
What are the key properties of 2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium?
2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium has a molecular weight of 250.09 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium is sourced from PubChem (CID 155656379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).