3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium

C12H20Y-2 — CID 149329488

IUPAC3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium
SMILES[H]/[C-]=C(C(=[C-]/[H])/C(C)(C)C)\C(C)(C)C.[Y]
InChIInChI=1S/C12H20.Y/c1-9(11(3,4)5)10(2)12(6,7)8;/h1-2H,3-8H3;/q-2;
InChIKeyFXGIOHWLHLKKQH-UHFFFAOYSA-N
MW253.20 g/mol
LogP3.79
Rot. Bonds1

About 3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium

3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium (PubChem CID 149329488) has the molecular formula C12H20Y-2 and a molecular weight of 253.20 g/mol. Its IUPAC name is 3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium.

Molecular Properties

Compound Name3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium
PubChem CID149329488
Molecular FormulaC12H20Y-2
Molecular Weight253.20 g/mol
Exact Mass253.06
IUPAC Name3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium
SMILES[H]/[C-]=C(C(=[C-]/[H])/C(C)(C)C)\C(C)(C)C.[Y]
InChIInChI=1S/C12H20.Y/c1-9(11(3,4)5)10(2)12(6,7)8;/h1-2H,3-8H3;/q-2;
InChIKeyFXGIOHWLHLKKQH-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbuta-1,3-diene;pentakis(yttrium)
CID 58460586
N-(3,3-dimethylbut-1-en-2-yl)-2-methylpropan-1-imine;yttrium
CID 155657078
dilithium;manganese(2+);tetrakis(2,2,4,4-tetramethylpentan-3-ylideneazanide)
CID 139135718
bis((Z)-5-methanidylidene-2,2,3,6,6-pentamethylhept-3-ene);ruthenium(2+)
CID 173040884
lithium 2-methylpropan-2-ol
CID 21120036
(1-azanidyl-2,2-dimethylpropylidene)azanide;bis(rubidium(1+))
CID 143087197
2,3-difluorobuta-1,3-diene;yttrium
CID 59456342
trimethyl(prop-1-en-2-yl)silane;yttrium
CID 59910689
buta-1,3-diene;carbanide;2,2-dimethylpropane;ethane;uranium(2+);yttrium
CID 158196798
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528
(Z)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene
CID 3036401
tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium);yttrium
CID 50911554

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium?
The IUPAC name of 3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium (CID 149329488) is 3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium.
What is the SMILES notation for 3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium?
The canonical SMILES for 3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium is [H]/[C-]=C(C(=[C-]/[H])/C(C)(C)C)\C(C)(C)C.[Y].
What is the InChIKey of 3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium?
The InChIKey is FXGIOHWLHLKKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.Y/c1-9(11(3,4)5)10(2)12(6,7)8;/h1-2H,3-8H3;/q-2;.
What are the key properties of 3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium?
3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium has a molecular weight of 253.20 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethanidylidene-2,2,5,5-tetramethylhexane;yttrium is sourced from PubChem (CID 149329488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).