CID 20596970

C6H13BW — CID 20596970

IUPAC—
SMILES[B]CC(C)[CH-]C.[CH3-].[W+2]
InChIInChI=1S/C5H10B.CH3.W/c1-3-5(2)4-6;;/h3,5H,4H2,1-2H3;1H3;/q2*-1;+2
InChIKeyUOVBULHCTKQWKG-UHFFFAOYSA-N
MW279.82 g/mol
LogP1.88
Rot. Bonds2

About CID 20596970

CID 20596970 (PubChem CID 20596970) has the molecular formula C6H13BW and a molecular weight of 279.82 g/mol.

Molecular Properties

Compound NameCID 20596970
PubChem CID20596970
Molecular FormulaC6H13BW
Molecular Weight279.82 g/mol
Exact Mass280.06
IUPAC Name—
SMILES[B]CC(C)[CH-]C.[CH3-].[W+2]
InChIInChI=1S/C5H10B.CH3.W/c1-3-5(2)4-6;;/h3,5H,4H2,1-2H3;1H3;/q2*-1;+2
InChIKeyUOVBULHCTKQWKG-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.82
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;3-methylpentane;zirconium(3+)
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ethane;3-methylpentane;tungsten(2+)
CID 161154116
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
CID 72640013
CID 72640013
carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)
CID 177285354
bis(2,4-dimethylpentane);propane;tungsten(2+)
CID 157303030
CID 89060665
CID 89060665
2,3-dimethylpentylsilane
CID 123335817
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
(2S)-2-methylbutane-1-selenol
CID 175184280

Frequently Asked Questions

What is the IUPAC name of CID 20596970?
The IUPAC name of CID 20596970 (CID 20596970) is not available.
What is the SMILES notation for CID 20596970?
The canonical SMILES for CID 20596970 is [B]CC(C)[CH-]C.[CH3-].[W+2].
What is the InChIKey of CID 20596970?
The InChIKey is UOVBULHCTKQWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10B.CH3.W/c1-3-5(2)4-6;;/h3,5H,4H2,1-2H3;1H3;/q2*-1;+2.
What are the key properties of CID 20596970?
CID 20596970 has a molecular weight of 279.82 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20596970 is sourced from PubChem (CID 20596970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).