bis(butan-2-ol);carbanide;tantalum

C11H29O2Ta-3 — CID 22416357

IUPACbis(butan-2-ol);carbanide;tantalum
SMILESCCC(C)O.CCC(C)O.[CH3-].[CH3-].[CH3-].[Ta]
InChIInChI=1S/2C4H10O.3CH3.Ta/c2*1-3-4(2)5;;;;/h2*4-5H,3H2,1-2H3;3*1H3;/q;;3*-1;
InChIKeyQAIOPAVUCWYYRB-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.90
Rot. Bonds2

About bis(butan-2-ol);carbanide;tantalum

bis(butan-2-ol);carbanide;tantalum (PubChem CID 22416357) has the molecular formula C11H29O2Ta-3 and a molecular weight of 374.30 g/mol. Its IUPAC name is bis(butan-2-ol);carbanide;tantalum.

Molecular Properties

Compound Namebis(butan-2-ol);carbanide;tantalum
PubChem CID22416357
Molecular FormulaC11H29O2Ta-3
Molecular Weight374.30 g/mol
Exact Mass374.17
IUPAC Namebis(butan-2-ol);carbanide;tantalum
SMILESCCC(C)O.CCC(C)O.[CH3-].[CH3-].[CH3-].[Ta]
InChIInChI=1S/2C4H10O.3CH3.Ta/c2*1-3-4(2)5;;;;/h2*4-5H,3H2,1-2H3;3*1H3;/q;;3*-1;
InChIKeyQAIOPAVUCWYYRB-UHFFFAOYSA-N
XLogP2.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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bis(butan-2-ol);carbanide;oxovanadium
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butan-2-ol;ethanol
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CID 87560104
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Frequently Asked Questions

What is the IUPAC name of bis(butan-2-ol);carbanide;tantalum?
The IUPAC name of bis(butan-2-ol);carbanide;tantalum (CID 22416357) is bis(butan-2-ol);carbanide;tantalum.
What is the SMILES notation for bis(butan-2-ol);carbanide;tantalum?
The canonical SMILES for bis(butan-2-ol);carbanide;tantalum is CCC(C)O.CCC(C)O.[CH3-].[CH3-].[CH3-].[Ta].
What is the InChIKey of bis(butan-2-ol);carbanide;tantalum?
The InChIKey is QAIOPAVUCWYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.3CH3.Ta/c2*1-3-4(2)5;;;;/h2*4-5H,3H2,1-2H3;3*1H3;/q;;3*-1;.
What are the key properties of bis(butan-2-ol);carbanide;tantalum?
bis(butan-2-ol);carbanide;tantalum has a molecular weight of 374.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-2-ol);carbanide;tantalum is sourced from PubChem (CID 22416357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).