CID 123134376

C12H24MgO4 — CID 123134376

IUPAC—
SMILESCCC(CC)C(=O)O.CCC(CC)C(=O)O.[Mg]
InChIInChI=1S/2C6H12O2.Mg/c2*1-3-5(4-2)6(7)8;/h2*5H,3-4H2,1-2H3,(H,7,8);
InChIKeyWMKJXMSCPRJMPV-UHFFFAOYSA-N
MW256.62 g/mol
LogP2.63
Rot. Bonds6

About CID 123134376

CID 123134376 (PubChem CID 123134376) has the molecular formula C12H24MgO4 and a molecular weight of 256.62 g/mol.

Molecular Properties

Compound NameCID 123134376
PubChem CID123134376
Molecular FormulaC12H24MgO4
Molecular Weight256.62 g/mol
Exact Mass256.15
IUPAC Name—
SMILESCCC(CC)C(=O)O.CCC(CC)C(=O)O.[Mg]
InChIInChI=1S/2C6H12O2.Mg/c2*1-3-5(4-2)6(7)8;/h2*5H,3-4H2,1-2H3,(H,7,8);
InChIKeyWMKJXMSCPRJMPV-UHFFFAOYSA-N
XLogP2.63
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.62
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87086045
CID 87086045
ethane;2-ethylbutanoic acid
CID 142229949
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
2-ethylpentanoic acid
CID 158993232
(2S)-2-ethylbutanedioic acid
CID 6997245
2-ethylpentanoic acid
CID 30020
2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448

Frequently Asked Questions

What is the IUPAC name of CID 123134376?
The IUPAC name of CID 123134376 (CID 123134376) is not available.
What is the SMILES notation for CID 123134376?
The canonical SMILES for CID 123134376 is CCC(CC)C(=O)O.CCC(CC)C(=O)O.[Mg].
What is the InChIKey of CID 123134376?
The InChIKey is WMKJXMSCPRJMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O2.Mg/c2*1-3-5(4-2)6(7)8;/h2*5H,3-4H2,1-2H3,(H,7,8);.
What are the key properties of CID 123134376?
CID 123134376 has a molecular weight of 256.62 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123134376 is sourced from PubChem (CID 123134376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).