methane;5-methyl-4-oxoheptanoic acid;yttrium

C10H21O3Y- — CID 158695550

IUPACmethane;5-methyl-4-oxoheptanoic acid;yttrium
SMILESC.C.CCC(C)C(=O)C[CH-]C(=O)O.[Y]
InChIInChI=1S/C8H13O3.2CH4.Y/c1-3-6(2)7(9)4-5-8(10)11;;;/h5-6H,3-4H2,1-2H3,(H,10,11);2*1H4;/q-1;;;
InChIKeyFSSNBXXXKXXOTD-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.55
Rot. Bonds5

About methane;5-methyl-4-oxoheptanoic acid;yttrium

methane;5-methyl-4-oxoheptanoic acid;yttrium (PubChem CID 158695550) has the molecular formula C10H21O3Y- and a molecular weight of 278.18 g/mol. Its IUPAC name is methane;5-methyl-4-oxoheptanoic acid;yttrium.

Molecular Properties

Compound Namemethane;5-methyl-4-oxoheptanoic acid;yttrium
PubChem CID158695550
Molecular FormulaC10H21O3Y-
Molecular Weight278.18 g/mol
Exact Mass278.06
IUPAC Namemethane;5-methyl-4-oxoheptanoic acid;yttrium
SMILESC.C.CCC(C)C(=O)C[CH-]C(=O)O.[Y]
InChIInChI=1S/C8H13O3.2CH4.Y/c1-3-6(2)7(9)4-5-8(10)11;;;/h5-6H,3-4H2,1-2H3,(H,10,11);2*1H4;/q-1;;;
InChIKeyFSSNBXXXKXXOTD-UHFFFAOYSA-N
XLogP2.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyloctan-4-one;yttrium
CID 58599912
methane;(2S)-2-methylbutanoic acid
CID 159302978
5-methyl-4-oxoheptanoic acid
CID 21365481
8-methyl-7-oxodecanoic acid
CID 121216549
2,5-dimethylheptan-4-one
CID 12580686
ethane;2-methylbutanoic acid
CID 87621166
CID 88513173
CID 88513173
bis(2-methylbutanoic acid);nickel
CID 170549792
iron;2-methylbutanoic acid
CID 175205801
1,2-dihydroxy-5-methylheptan-4-one
CID 168860492
2,19-dimethylhenicosane-3,18-dione
CID 138498522
(5S)-1,2-dihydroxy-5-methylheptan-4-one
CID 168860493

Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-4-oxoheptanoic acid;yttrium?
The IUPAC name of methane;5-methyl-4-oxoheptanoic acid;yttrium (CID 158695550) is methane;5-methyl-4-oxoheptanoic acid;yttrium.
What is the SMILES notation for methane;5-methyl-4-oxoheptanoic acid;yttrium?
The canonical SMILES for methane;5-methyl-4-oxoheptanoic acid;yttrium is C.C.CCC(C)C(=O)C[CH-]C(=O)O.[Y].
What is the InChIKey of methane;5-methyl-4-oxoheptanoic acid;yttrium?
The InChIKey is FSSNBXXXKXXOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O3.2CH4.Y/c1-3-6(2)7(9)4-5-8(10)11;;;/h5-6H,3-4H2,1-2H3,(H,10,11);2*1H4;/q-1;;;.
What are the key properties of methane;5-methyl-4-oxoheptanoic acid;yttrium?
methane;5-methyl-4-oxoheptanoic acid;yttrium has a molecular weight of 278.18 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-4-oxoheptanoic acid;yttrium is sourced from PubChem (CID 158695550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).