carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)

C12H45NOP4Y2-2 — CID 160573879

IUPACcarbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)
SMILESCC.CC.CC.CC(=O)N(C)C.P.P.P.P.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C4H9NO.3C2H6.2CH3.4H3P.2Y/c1-4(6)5(2)3;3*1-2;;;;;;;;/h1-3H3;3*1-2H3;6*1H3;;/q;;;;2*-1;;;;;;
InChIKeyMSBZHZSKYZGCKU-UHFFFAOYSA-N
MW521.21 g/mol
LogP4.30
Rot. Bonds

About carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)

carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium) (PubChem CID 160573879) has the molecular formula C12H45NOP4Y2-2 and a molecular weight of 521.21 g/mol. Its IUPAC name is carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium).

Molecular Properties

Compound Namecarbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)
PubChem CID160573879
Molecular FormulaC12H45NOP4Y2-2
Molecular Weight521.21 g/mol
Exact Mass521.06
IUPAC Namecarbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)
SMILESCC.CC.CC.CC(=O)N(C)C.P.P.P.P.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C4H9NO.3C2H6.2CH3.4H3P.2Y/c1-4(6)5(2)3;3*1-2;;;;;;;;/h1-3H3;3*1-2H3;6*1H3;;/q;;;;2*-1;;;;;;
InChIKeyMSBZHZSKYZGCKU-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.21
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;N,N-dimethylacetamide;chloride
CID 87129072
azane;N,N-dimethylacetamide
CID 161145572
N,N-dimethylacetamide;molecular iodine
CID 158534416
N,N-dimethylacetamide;formaldehyde
CID 54040691
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527
calcium;N,N-dimethylacetamide;diacetate
CID 175064438
N,N-dimethylacetamide;permanganic acid
CID 174571384
N,N-dimethylacetamide;oxalonitrile
CID 174761763
N,N-dimethylacetamide;ethane-1,2-diol
CID 19046924
bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea
CID 157392162
N,N-dimethylacetamide;methylsulfinylmethane;hydrate
CID 19812504
bis(N,N-dimethylacetamide);methyl acetate;propan-2-one
CID 161062659

Frequently Asked Questions

What is the IUPAC name of carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)?
The IUPAC name of carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium) (CID 160573879) is carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium).
What is the SMILES notation for carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)?
The canonical SMILES for carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium) is CC.CC.CC.CC(=O)N(C)C.P.P.P.P.[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)?
The InChIKey is MSBZHZSKYZGCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.3C2H6.2CH3.4H3P.2Y/c1-4(6)5(2)3;3*1-2;;;;;;;;/h1-3H3;3*1-2H3;6*1H3;;/q;;;;2*-1;;;;;;.
What are the key properties of carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)?
carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium) has a molecular weight of 521.21 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium) is sourced from PubChem (CID 160573879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).