carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+))

C38H70Y2 — CID 160831224

IUPACcarbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+))
SMILESCC(C)CC(C)C.CC(C)CC(C)C.CCc1[c-]cccc1.CCc1[c-]cccc1.C[CH-]C.C[CH-]C.[CH3-].[CH3-].[Y+3].[Y+3]
InChIInChI=1S/2C8H9.2C7H16.2C3H7.2CH3.2Y/c2*1-2-8-6-4-3-5-7-8;2*1-6(2)5-7(3)4;2*1-3-2;;;;/h2*3-6H,2H2,1H3;2*6-7H,5H2,1-4H3;2*3H,1-2H3;2*1H3;;/q2*-1;;;4*-1;2*+3
InChIKeyKEJKZBNKAYJWEU-UHFFFAOYSA-N
MW704.79 g/mol
LogP12.83
Rot. Bonds6

About carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+))

carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+)) (PubChem CID 160831224) has the molecular formula C38H70Y2 and a molecular weight of 704.79 g/mol. Its IUPAC name is carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+)).

Molecular Properties

Compound Namecarbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+))
PubChem CID160831224
Molecular FormulaC38H70Y2
Molecular Weight704.79 g/mol
Exact Mass704.36
IUPAC Namecarbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+))
SMILESCC(C)CC(C)C.CC(C)CC(C)C.CCc1[c-]cccc1.CCc1[c-]cccc1.C[CH-]C.C[CH-]C.[CH3-].[CH3-].[Y+3].[Y+3]
InChIInChI=1S/2C8H9.2C7H16.2C3H7.2CH3.2Y/c2*1-2-8-6-4-3-5-7-8;2*1-6(2)5-7(3)4;2*1-3-2;;;;/h2*3-6H,2H2,1H3;2*6-7H,5H2,1-4H3;2*3H,1-2H3;2*1H3;;/q2*-1;;;4*-1;2*+3
InChIKeyKEJKZBNKAYJWEU-UHFFFAOYSA-N
XLogP12.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.79
LogP ≤ 512.83
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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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+))?
The IUPAC name of carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+)) (CID 160831224) is carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+)).
What is the SMILES notation for carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+))?
The canonical SMILES for carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+)) is CC(C)CC(C)C.CC(C)CC(C)C.CCc1[c-]cccc1.CCc1[c-]cccc1.C[CH-]C.C[CH-]C.[CH3-].[CH3-].[Y+3].[Y+3].
What is the InChIKey of carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+))?
The InChIKey is KEJKZBNKAYJWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9.2C7H16.2C3H7.2CH3.2Y/c2*1-2-8-6-4-3-5-7-8;2*1-6(2)5-7(3)4;2*1-3-2;;;;/h2*3-6H,2H2,1H3;2*6-7H,5H2,1-4H3;2*3H,1-2H3;2*1H3;;/q2*-1;;;4*-1;2*+3.
What are the key properties of carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+))?
carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+)) has a molecular weight of 704.79 g/mol, XLogP of 12.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2,4-dimethylpentane);ethylbenzene;propane;bis(yttrium(3+)) is sourced from PubChem (CID 160831224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).