carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)

C9H19Y3 — CID 177285354

IUPACcarbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)
SMILESC[CH-][C@@H](C)[C@@H](C)[CH-]C.[CH3-].[Y+3].[Y].[Y]
InChIInChI=1S/C8H16.CH3.3Y/c1-5-7(3)8(4)6-2;;;;/h5-8H,1-4H3;1H3;;;/q-2;-1;;;+3/t7-,8+;;;;
InChIKeyHEPUMVMYACFXKF-XFOIBMPCSA-N
MW393.97 g/mol
LogP3.15
Rot. Bonds3

About carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)

carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+) (PubChem CID 177285354) has the molecular formula C9H19Y3 and a molecular weight of 393.97 g/mol. Its IUPAC name is carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+).

Molecular Properties

Compound Namecarbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)
PubChem CID177285354
Molecular FormulaC9H19Y3
Molecular Weight393.97 g/mol
Exact Mass393.87
IUPAC Namecarbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)
SMILESC[CH-][C@@H](C)[C@@H](C)[CH-]C.[CH3-].[Y+3].[Y].[Y]
InChIInChI=1S/C8H16.CH3.3Y/c1-5-7(3)8(4)6-2;;;;/h5-8H,1-4H3;1H3;;;/q-2;-1;;;+3/t7-,8+;;;;
InChIKeyHEPUMVMYACFXKF-XFOIBMPCSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.97
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 159482999
CID 159482999
2,3-dimethylpentylsilane
CID 123335817
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CID 174944394
6-methylhept-3-yne;tris(yttrium)
CID 59973578
carbanide;methane;2-methylpropane;tris(yttrium)
CID 160679294
iodozinc(1+);2-methylbutane
CID 142317299
carbanide;3-methylpentane;zirconium(3+)
CID 23519259
carbanide;2,4-dimethanidylpentane;tungsten;yttrium
CID 91867745
propane;(yttrium)
CID 155620339
2-methanidylpropane;titanium(4+);trichloride
CID 174197579
carbanide;2-methanidylpropane;bis(yttrium)
CID 161365817

Frequently Asked Questions

What is the IUPAC name of carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)?
The IUPAC name of carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+) (CID 177285354) is carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+).
What is the SMILES notation for carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)?
The canonical SMILES for carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+) is C[CH-][C@@H](C)[C@@H](C)[CH-]C.[CH3-].[Y+3].[Y].[Y].
What is the InChIKey of carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)?
The InChIKey is HEPUMVMYACFXKF-XFOIBMPCSA-N. The full InChI is InChI=1S/C8H16.CH3.3Y/c1-5-7(3)8(4)6-2;;;;/h5-8H,1-4H3;1H3;;;/q-2;-1;;;+3/t7-,8+;;;;.
What are the key properties of carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)?
carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+) has a molecular weight of 393.97 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+) is sourced from PubChem (CID 177285354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).