carbanide;4-methylpent-1-ene;tridecakis(yttrium)

C7H14Y13-2 — CID 59390262

IUPACcarbanide;4-methylpent-1-ene;tridecakis(yttrium)
SMILESC=[C-]CC(C)C.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H11.CH3.13Y/c1-4-5-6(2)3;;;;;;;;;;;;;;/h6H,1,5H2,2-3H3;1H3;;;;;;;;;;;;;/q2*-1;;;;;;;;;;;;;
InChIKeyXYCWQTCOGKDWSJ-UHFFFAOYSA-N
MW1253.97 g/mol
LogP2.44
Rot. Bonds2

About carbanide;4-methylpent-1-ene;tridecakis(yttrium)

carbanide;4-methylpent-1-ene;tridecakis(yttrium) (PubChem CID 59390262) has the molecular formula C7H14Y13-2 and a molecular weight of 1253.97 g/mol. Its IUPAC name is carbanide;4-methylpent-1-ene;tridecakis(yttrium).

Molecular Properties

Compound Namecarbanide;4-methylpent-1-ene;tridecakis(yttrium)
PubChem CID59390262
Molecular FormulaC7H14Y13-2
Molecular Weight1253.97 g/mol
Exact Mass1253.89
IUPAC Namecarbanide;4-methylpent-1-ene;tridecakis(yttrium)
SMILESC=[C-]CC(C)C.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H11.CH3.13Y/c1-4-5-6(2)3;;;;;;;;;;;;;;/h6H,1,5H2,2-3H3;1H3;;;;;;;;;;;;;/q2*-1;;;;;;;;;;;;;
InChIKeyXYCWQTCOGKDWSJ-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001253.97
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;4-methylpent-1-ene;tridecakis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;4-methylpent-1-ene;tridecakis(yttrium)?
The IUPAC name of carbanide;4-methylpent-1-ene;tridecakis(yttrium) (CID 59390262) is carbanide;4-methylpent-1-ene;tridecakis(yttrium).
What is the SMILES notation for carbanide;4-methylpent-1-ene;tridecakis(yttrium)?
The canonical SMILES for carbanide;4-methylpent-1-ene;tridecakis(yttrium) is C=[C-]CC(C)C.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;4-methylpent-1-ene;tridecakis(yttrium)?
The InChIKey is XYCWQTCOGKDWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11.CH3.13Y/c1-4-5-6(2)3;;;;;;;;;;;;;;/h6H,1,5H2,2-3H3;1H3;;;;;;;;;;;;;/q2*-1;;;;;;;;;;;;;.
What are the key properties of carbanide;4-methylpent-1-ene;tridecakis(yttrium)?
carbanide;4-methylpent-1-ene;tridecakis(yttrium) has a molecular weight of 1253.97 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-methylpent-1-ene;tridecakis(yttrium) is sourced from PubChem (CID 59390262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).