carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium

C9H18NbO4-2 — CID 20709822

IUPACcarbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium
SMILESCCC1O[CH-]C(OC)C1OC.O=[Nb].[CH3-]
InChIInChI=1S/C8H15O3.CH3.Nb.O/c1-4-6-8(10-3)7(9-2)5-11-6;;;/h5-8H,4H2,1-3H3;1H3;;/q2*-1;;
InChIKeyKTJKIGRCVYAPPN-UHFFFAOYSA-N
MW283.15 g/mol
LogP1.32
Rot. Bonds3

About carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium

carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium (PubChem CID 20709822) has the molecular formula C9H18NbO4-2 and a molecular weight of 283.15 g/mol. Its IUPAC name is carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium.

Molecular Properties

Compound Namecarbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium
PubChem CID20709822
Molecular FormulaC9H18NbO4-2
Molecular Weight283.15 g/mol
Exact Mass283.03
IUPAC Namecarbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium
SMILESCCC1O[CH-]C(OC)C1OC.O=[Nb].[CH3-]
InChIInChI=1S/C8H15O3.CH3.Nb.O/c1-4-6-8(10-3)7(9-2)5-11-6;;;/h5-8H,4H2,1-3H3;1H3;;/q2*-1;;
InChIKeyKTJKIGRCVYAPPN-UHFFFAOYSA-N
XLogP1.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium?
The IUPAC name of carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium (CID 20709822) is carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium.
What is the SMILES notation for carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium?
The canonical SMILES for carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium is CCC1O[CH-]C(OC)C1OC.O=[Nb].[CH3-].
What is the InChIKey of carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium?
The InChIKey is KTJKIGRCVYAPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O3.CH3.Nb.O/c1-4-6-8(10-3)7(9-2)5-11-6;;;/h5-8H,4H2,1-3H3;1H3;;/q2*-1;;.
What are the key properties of carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium?
carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium has a molecular weight of 283.15 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-ethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-5-ide;oxoniobium is sourced from PubChem (CID 20709822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).