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

C9H23O3V- — CID 536550

IUPACbis(butan-2-ol);carbanide;oxovanadium
SMILESCCC(C)O.CCC(C)O.O=[V].[CH3-]
InChIInChI=1S/2C4H10O.CH3.O.V/c2*1-3-4(2)5;;;/h2*4-5H,3H2,1-2H3;1H3;;/q;;-1;;
InChIKeyPWVPAUSDAFTBQN-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.88
Rot. Bonds2

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

bis(butan-2-ol);carbanide;oxovanadium (PubChem CID 536550) has the molecular formula C9H23O3V- and a molecular weight of 230.22 g/mol. Its IUPAC name is bis(butan-2-ol);carbanide;oxovanadium.

Molecular Properties

Compound Namebis(butan-2-ol);carbanide;oxovanadium
PubChem CID536550
Molecular FormulaC9H23O3V-
Molecular Weight230.22 g/mol
Exact Mass230.11
IUPAC Namebis(butan-2-ol);carbanide;oxovanadium
SMILESCCC(C)O.CCC(C)O.O=[V].[CH3-]
InChIInChI=1S/2C4H10O.CH3.O.V/c2*1-3-4(2)5;;;/h2*4-5H,3H2,1-2H3;1H3;;/q;;-1;;
InChIKeyPWVPAUSDAFTBQN-UHFFFAOYSA-N
XLogP1.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.88
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

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pentakis(butan-2-ol);molybdenum
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CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742
butan-2-ol;ethanol
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butan-2-ol;ethanol
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acetic acid;bis(butan-2-ol)
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CID 174746471
acetaldehyde;butan-2-ol;2-methylpropane
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butan-2-ol;but-2-ene
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butan-2-ol;methane;pentan-3-ol
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Frequently Asked Questions

What is the IUPAC name of bis(butan-2-ol);carbanide;oxovanadium?
The IUPAC name of bis(butan-2-ol);carbanide;oxovanadium (CID 536550) is bis(butan-2-ol);carbanide;oxovanadium.
What is the SMILES notation for bis(butan-2-ol);carbanide;oxovanadium?
The canonical SMILES for bis(butan-2-ol);carbanide;oxovanadium is CCC(C)O.CCC(C)O.O=[V].[CH3-].
What is the InChIKey of bis(butan-2-ol);carbanide;oxovanadium?
The InChIKey is PWVPAUSDAFTBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.CH3.O.V/c2*1-3-4(2)5;;;/h2*4-5H,3H2,1-2H3;1H3;;/q;;-1;;.
What are the key properties of bis(butan-2-ol);carbanide;oxovanadium?
bis(butan-2-ol);carbanide;oxovanadium has a molecular weight of 230.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-2-ol);carbanide;oxovanadium is sourced from PubChem (CID 536550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).