carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium)

C12H33O2Y2-3 — CID 159502208

IUPACcarbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium)
SMILESC.C.CCC.COCC(C)=O.[CH3-].[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C4H8O2.C3H8.2CH4.3CH3.2Y/c1-4(5)3-6-2;1-3-2;;;;;;;/h3H2,1-2H3;3H2,1-2H3;2*1H4;3*1H3;;/q;;;;3*-1;;
InChIKeyMQWBYUIPXAMUSI-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.26
Rot. Bonds2

About carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium)

carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium) (PubChem CID 159502208) has the molecular formula C12H33O2Y2-3 and a molecular weight of 387.21 g/mol. Its IUPAC name is carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium).

Molecular Properties

Compound Namecarbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium)
PubChem CID159502208
Molecular FormulaC12H33O2Y2-3
Molecular Weight387.21 g/mol
Exact Mass387.06
IUPAC Namecarbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium)
SMILESC.C.CCC.COCC(C)=O.[CH3-].[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C4H8O2.C3H8.2CH4.3CH3.2Y/c1-4(5)3-6-2;1-3-2;;;;;;;/h3H2,1-2H3;3H2,1-2H3;2*1H4;3*1H3;;/q;;;;3*-1;;
InChIKeyMQWBYUIPXAMUSI-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbanide;methane;1-methoxypropan-2-one;propane;bis(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;methane;1-methoxypropan-2-one;propane;bis(yttrium)?
The IUPAC name of carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium) (CID 159502208) is carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium).
What is the SMILES notation for carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium)?
The canonical SMILES for carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium) is C.C.CCC.COCC(C)=O.[CH3-].[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium)?
The InChIKey is MQWBYUIPXAMUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H8.2CH4.3CH3.2Y/c1-4(5)3-6-2;1-3-2;;;;;;;/h3H2,1-2H3;3H2,1-2H3;2*1H4;3*1H3;;/q;;;;3*-1;;.
What are the key properties of carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium)?
carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium) has a molecular weight of 387.21 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;1-methoxypropan-2-one;propane;bis(yttrium) is sourced from PubChem (CID 159502208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).