carbanide;bis(hexane);methane;propane;tris(yttrium)

C27H74Y3-2 — CID 162210264

IUPACcarbanide;bis(hexane);methane;propane;tris(yttrium)
SMILESC.C.C.C.CCC.CCC.CCC.CCCCCC.CCCCCC.[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/2C6H14.3C3H8.4CH4.2CH3.3Y/c2*1-3-5-6-4-2;3*1-3-2;;;;;;;;;/h2*3-6H2,1-2H3;3*3H2,1-2H3;4*1H4;2*1H3;;;/q;;;;;;;;;2*-1;;;
InChIKeySHVINBVNYKUBEF-UHFFFAOYSA-N
MW665.61 g/mol
LogP12.86
Rot. Bonds6

About carbanide;bis(hexane);methane;propane;tris(yttrium)

carbanide;bis(hexane);methane;propane;tris(yttrium) (PubChem CID 162210264) has the molecular formula C27H74Y3-2 and a molecular weight of 665.61 g/mol. Its IUPAC name is carbanide;bis(hexane);methane;propane;tris(yttrium).

Molecular Properties

Compound Namecarbanide;bis(hexane);methane;propane;tris(yttrium)
PubChem CID162210264
Molecular FormulaC27H74Y3-2
Molecular Weight665.61 g/mol
Exact Mass665.30
IUPAC Namecarbanide;bis(hexane);methane;propane;tris(yttrium)
SMILESC.C.C.C.CCC.CCC.CCC.CCCCCC.CCCCCC.[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/2C6H14.3C3H8.4CH4.2CH3.3Y/c2*1-3-5-6-4-2;3*1-3-2;;;;;;;;;/h2*3-6H2,1-2H3;3*3H2,1-2H3;4*1H4;2*1H3;;;/q;;;;;;;;;2*-1;;;
InChIKeySHVINBVNYKUBEF-UHFFFAOYSA-N
XLogP12.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.61
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;bis(hexane);methane;propane;tris(yttrium) with MolForge

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

Launch Full Analysis

Related Compounds

carbanide;hexane;tetrakis(yttrium)
CID 161096605
bis(hexane);methane;propane
CID 158581590
dodecane;methane
CID 22277750
methane;pentane;propane
CID 159978864
hexane;titanium(3+);trichloride
CID 163599635
ethane;bis(hexane);propane
CID 173306816
undecane chloride
CID 19736895
methane;pentane;propane
CID 169428492
bis(hexadecane);methane
CID 161318895
bis(hexacosane);methane
CID 157430725
hexane;pentane;propane
CID 165146348
methane;pentane;propane
CID 143342797

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(hexane);methane;propane;tris(yttrium)?
The IUPAC name of carbanide;bis(hexane);methane;propane;tris(yttrium) (CID 162210264) is carbanide;bis(hexane);methane;propane;tris(yttrium).
What is the SMILES notation for carbanide;bis(hexane);methane;propane;tris(yttrium)?
The canonical SMILES for carbanide;bis(hexane);methane;propane;tris(yttrium) is C.C.C.C.CCC.CCC.CCC.CCCCCC.CCCCCC.[CH3-].[CH3-].[Y].[Y].[Y].
What is the InChIKey of carbanide;bis(hexane);methane;propane;tris(yttrium)?
The InChIKey is SHVINBVNYKUBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14.3C3H8.4CH4.2CH3.3Y/c2*1-3-5-6-4-2;3*1-3-2;;;;;;;;;/h2*3-6H2,1-2H3;3*3H2,1-2H3;4*1H4;2*1H3;;;/q;;;;;;;;;2*-1;;;.
What are the key properties of carbanide;bis(hexane);methane;propane;tris(yttrium)?
carbanide;bis(hexane);methane;propane;tris(yttrium) has a molecular weight of 665.61 g/mol, XLogP of 12.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(hexane);methane;propane;tris(yttrium) is sourced from PubChem (CID 162210264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).