carbanide;ethane;methane;propan-2-ylbenzene;yttrium

C15H30Y-2 — CID 160657951

IUPACcarbanide;ethane;methane;propan-2-ylbenzene;yttrium
SMILESC.CC.CC.CC(C)c1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C9H11.2C2H6.CH4.CH3.Y/c1-8(2)9-6-4-3-5-7-9;2*1-2;;;/h4-8H,1-2H3;2*1-2H3;1H4;1H3;/q-1;;;;-1;
InChIKeyXFQUABJFWNTZOX-UHFFFAOYSA-N
MW299.31 g/mol
LogP5.75
Rot. Bonds1

About carbanide;ethane;methane;propan-2-ylbenzene;yttrium

carbanide;ethane;methane;propan-2-ylbenzene;yttrium (PubChem CID 160657951) has the molecular formula C15H30Y-2 and a molecular weight of 299.31 g/mol. Its IUPAC name is carbanide;ethane;methane;propan-2-ylbenzene;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;methane;propan-2-ylbenzene;yttrium
PubChem CID160657951
Molecular FormulaC15H30Y-2
Molecular Weight299.31 g/mol
Exact Mass299.14
IUPAC Namecarbanide;ethane;methane;propan-2-ylbenzene;yttrium
SMILESC.CC.CC.CC(C)c1cc[c-]cc1.[CH3-].[Y]
InChIInChI=1S/C9H11.2C2H6.CH4.CH3.Y/c1-8(2)9-6-4-3-5-7-9;2*1-2;;;/h4-8H,1-2H3;2*1-2H3;1H4;1H3;/q-1;;;;-1;
InChIKeyXFQUABJFWNTZOX-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.31
LogP ≤ 55.75
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

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CID 158807312
methane;methylbenzene;yttrium
CID 160876865
ethane;methylbenzene;yttrium
CID 158556230
cumene;ethane
CID 54306132
methane;methylbenzene;yttrium
CID 158936681
2-methyl-1-phenylpropan-1-ol;uranium
CID 59298773
CID 159310434
CID 159310434
cumene;N,N-dimethylmethanamine;methane;yttrium
CID 158169650
cumene;ruthenium(2+);dichloride
CID 23094461
CID 160506105
CID 160506105

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;methane;propan-2-ylbenzene;yttrium?
The IUPAC name of carbanide;ethane;methane;propan-2-ylbenzene;yttrium (CID 160657951) is carbanide;ethane;methane;propan-2-ylbenzene;yttrium.
What is the SMILES notation for carbanide;ethane;methane;propan-2-ylbenzene;yttrium?
The canonical SMILES for carbanide;ethane;methane;propan-2-ylbenzene;yttrium is C.CC.CC.CC(C)c1cc[c-]cc1.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;methane;propan-2-ylbenzene;yttrium?
The InChIKey is XFQUABJFWNTZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.2C2H6.CH4.CH3.Y/c1-8(2)9-6-4-3-5-7-9;2*1-2;;;/h4-8H,1-2H3;2*1-2H3;1H4;1H3;/q-1;;;;-1;.
What are the key properties of carbanide;ethane;methane;propan-2-ylbenzene;yttrium?
carbanide;ethane;methane;propan-2-ylbenzene;yttrium has a molecular weight of 299.31 g/mol, XLogP of 5.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;methane;propan-2-ylbenzene;yttrium is sourced from PubChem (CID 160657951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).