lithium;2,3-dimethyldecane;propanedioic acid

C15H29LiO4 — CID 174969259

IUPAClithium;2,3-dimethyldecane;propanedioic acid
SMILESCCCCCCC[C-](C)C(C)C.O=C(O)CC(=O)O.[Li+]
InChIInChI=1S/C12H25.C3H4O4.Li/c1-5-6-7-8-9-10-12(4)11(2)3;4-2(5)1-3(6)7;/h11H,5-10H2,1-4H3;1H2,(H,4,5)(H,6,7);/q-1;;+1
InChIKeyZWCHDDCPHOLCMX-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.15
Rot. Bonds9

About lithium;2,3-dimethyldecane;propanedioic acid

lithium;2,3-dimethyldecane;propanedioic acid (PubChem CID 174969259) has the molecular formula C15H29LiO4 and a molecular weight of 280.33 g/mol. Its IUPAC name is lithium;2,3-dimethyldecane;propanedioic acid.

Molecular Properties

Compound Namelithium;2,3-dimethyldecane;propanedioic acid
PubChem CID174969259
Molecular FormulaC15H29LiO4
Molecular Weight280.33 g/mol
Exact Mass280.22
IUPAC Namelithium;2,3-dimethyldecane;propanedioic acid
SMILESCCCCCCC[C-](C)C(C)C.O=C(O)CC(=O)O.[Li+]
InChIInChI=1S/C12H25.C3H4O4.Li/c1-5-6-7-8-9-10-12(4)11(2)3;4-2(5)1-3(6)7;/h11H,5-10H2,1-4H3;1H2,(H,4,5)(H,6,7);/q-1;;+1
InChIKeyZWCHDDCPHOLCMX-UHFFFAOYSA-N
XLogP1.15
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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2-methylpropan-1-ol;octadecanoic acid
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CID 57488644

Frequently Asked Questions

What is the IUPAC name of lithium;2,3-dimethyldecane;propanedioic acid?
The IUPAC name of lithium;2,3-dimethyldecane;propanedioic acid (CID 174969259) is lithium;2,3-dimethyldecane;propanedioic acid.
What is the SMILES notation for lithium;2,3-dimethyldecane;propanedioic acid?
The canonical SMILES for lithium;2,3-dimethyldecane;propanedioic acid is CCCCCCC[C-](C)C(C)C.O=C(O)CC(=O)O.[Li+].
What is the InChIKey of lithium;2,3-dimethyldecane;propanedioic acid?
The InChIKey is ZWCHDDCPHOLCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.C3H4O4.Li/c1-5-6-7-8-9-10-12(4)11(2)3;4-2(5)1-3(6)7;/h11H,5-10H2,1-4H3;1H2,(H,4,5)(H,6,7);/q-1;;+1.
What are the key properties of lithium;2,3-dimethyldecane;propanedioic acid?
lithium;2,3-dimethyldecane;propanedioic acid has a molecular weight of 280.33 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2,3-dimethyldecane;propanedioic acid is sourced from PubChem (CID 174969259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).