carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium)

C105H212O7Y7-14 — CID 158685990

IUPACcarbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium)
SMILESC.[CH2-]CCCCC(=O)C(C)(C)C.[CH2-]CCCCCCC(=O)C(C)C.[CH2-]CCCCCCCC(=O)C(C)C.[CH2-]CCCCCCCCC(=O)C(C)(C)C.[CH2-]CCCCCCCCCC(=O)C(C)(C)C.[CH2-]CCCCCCCCCCC(=O)C(C)C.[CH2-]CCCCCCCCCCCCCCC(=O)C(C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H39O.2C15H29O.C14H27O.C12H23O.C11H21O.C10H19O.CH4.7CH3.7Y/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(2,3)4;1-5-6-7-8-9-10-11-12-13-14(16)15(2,3)4;1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3;1-5-6-7-8-9-10-11-12-13(15)14(2,3)4;1-4-5-6-7-8-9-10-12(13)11(2)3;1-4-5-6-7-8-9-11(12)10(2)3;1-5-6-7-8-9(11)10(2,3)4;;;;;;;;;;;;;;;/h1,5-18H2,2-4H3;1,5-13H2,2-4H3;14H,1,4-13H2,2-3H3;1,5-12H2,2-4H3;11H,1,4-10H2,2-3H3;10H,1,4-9H2,2-3H3;1,5-8H2,2-4H3;1H4;7*1H3;;;;;;;/q7*-1;;7*-1;;;;;;;
InChIKeyNFNOKOAATFUDSD-UHFFFAOYSA-N
MW2209.19 g/mol
LogP35.28
Rot. Bonds61

About carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium)

carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium) (PubChem CID 158685990) has the molecular formula C105H212O7Y7-14 and a molecular weight of 2209.19 g/mol. Its IUPAC name is carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium).

Molecular Properties

Compound Namecarbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium)
PubChem CID158685990
Molecular FormulaC105H212O7Y7-14
Molecular Weight2209.19 g/mol
Exact Mass2207.97
IUPAC Namecarbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium)
SMILESC.[CH2-]CCCCC(=O)C(C)(C)C.[CH2-]CCCCCCC(=O)C(C)C.[CH2-]CCCCCCCC(=O)C(C)C.[CH2-]CCCCCCCCC(=O)C(C)(C)C.[CH2-]CCCCCCCCCC(=O)C(C)(C)C.[CH2-]CCCCCCCCCCC(=O)C(C)C.[CH2-]CCCCCCCCCCCCCCC(=O)C(C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H39O.2C15H29O.C14H27O.C12H23O.C11H21O.C10H19O.CH4.7CH3.7Y/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(2,3)4;1-5-6-7-8-9-10-11-12-13-14(16)15(2,3)4;1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3;1-5-6-7-8-9-10-11-12-13(15)14(2,3)4;1-4-5-6-7-8-9-10-12(13)11(2)3;1-4-5-6-7-8-9-11(12)10(2)3;1-5-6-7-8-9(11)10(2,3)4;;;;;;;;;;;;;;;/h1,5-18H2,2-4H3;1,5-13H2,2-4H3;14H,1,4-13H2,2-3H3;1,5-12H2,2-4H3;11H,1,4-10H2,2-3H3;10H,1,4-9H2,2-3H3;1,5-8H2,2-4H3;1H4;7*1H3;;;;;;;/q7*-1;;7*-1;;;;;;;
InChIKeyNFNOKOAATFUDSD-UHFFFAOYSA-N
XLogP35.28
TPSA119.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds61
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002209.19
LogP ≤ 535.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium) with MolForge

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Related Compounds

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CID 170406348
9-methyl-8-oxodecanamide
CID 168891746
14-methylpentadecane-2,13-dione
CID 88544438
2-methylhexadecan-3-one
CID 58030381
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
2,2-dimethyloctadecan-3-one;hexadecanoic acid
CID 159228095
2,5,5-trimethylundecane-3,6-dione
CID 87629470
2,19-dimethylhenicosane-3,18-dione
CID 138498522
12-methyltridecane-3,4,11-trione
CID 22953560
11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione
CID 158079491
2-methyl-2-(7-methyl-6-oxooctoxy)propanamide
CID 163841187

Frequently Asked Questions

What is the IUPAC name of carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium)?
The IUPAC name of carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium) (CID 158685990) is carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium).
What is the SMILES notation for carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium)?
The canonical SMILES for carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium) is C.[CH2-]CCCCC(=O)C(C)(C)C.[CH2-]CCCCCCC(=O)C(C)C.[CH2-]CCCCCCCC(=O)C(C)C.[CH2-]CCCCCCCCC(=O)C(C)(C)C.[CH2-]CCCCCCCCCC(=O)C(C)(C)C.[CH2-]CCCCCCCCCCC(=O)C(C)C.[CH2-]CCCCCCCCCCCCCCC(=O)C(C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium)?
The InChIKey is NFNOKOAATFUDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39O.2C15H29O.C14H27O.C12H23O.C11H21O.C10H19O.CH4.7CH3.7Y/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(2,3)4;1-5-6-7-8-9-10-11-12-13-14(16)15(2,3)4;1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3;1-5-6-7-8-9-10-11-12-13(15)14(2,3)4;1-4-5-6-7-8-9-10-12(13)11(2)3;1-4-5-6-7-8-9-11(12)10(2)3;1-5-6-7-8-9(11)10(2,3)4;;;;;;;;;;;;;;;/h1,5-18H2,2-4H3;1,5-13H2,2-4H3;14H,1,4-13H2,2-3H3;1,5-12H2,2-4H3;11H,1,4-10H2,2-3H3;10H,1,4-9H2,2-3H3;1,5-8H2,2-4H3;1H4;7*1H3;;;;;;;/q7*-1;;7*-1;;;;;;;.
What are the key properties of carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium)?
carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium) has a molecular weight of 2209.19 g/mol, XLogP of 35.28, 61 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,2-dimethyldodecan-3-one;2,2-dimethyloctadecan-3-one;2,2-dimethyloctan-3-one;2,2-dimethyltridecan-3-one;methane;2-methyldecan-3-one;2-methyltetradecan-3-one;2-methylundecan-3-one;heptakis(yttrium) is sourced from PubChem (CID 158685990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).