CID 172720711

C5H12MgO2 — CID 172720711

IUPAC—
SMILESCCCCC(O)O.[Mg]
InChIInChI=1S/C5H12O2.Mg/c1-2-3-4-5(6)7;/h5-7H,2-4H2,1H3;
InChIKeyGMBFSMQRJGDHIJ-UHFFFAOYSA-N
MW128.45 g/mol
LogP0.11
Rot. Bonds3

About CID 172720711

CID 172720711 (PubChem CID 172720711) has the molecular formula C5H12MgO2 and a molecular weight of 128.45 g/mol.

Molecular Properties

Compound NameCID 172720711
PubChem CID172720711
Molecular FormulaC5H12MgO2
Molecular Weight128.45 g/mol
Exact Mass128.07
IUPAC Name—
SMILESCCCCC(O)O.[Mg]
InChIInChI=1S/C5H12O2.Mg/c1-2-3-4-5(6)7;/h5-7H,2-4H2,1H3;
InChIKeyGMBFSMQRJGDHIJ-UHFFFAOYSA-N
XLogP0.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.45
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

decane;dodecane-1,1-diol
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tetradecane-1,1-diol;tridecane-1,1-diol
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heptane-1,1-diol;hexane-1,1-diol
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nonacosane-1,1-diol
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dodecane-1,1-diol;dihydrochloride
CID 87128887
CID 172691644
CID 172691644
hexane-1,1-diol;hexane-1,2-diol
CID 158152715
methoxymethane;tridecane-1,1-diol
CID 18004105
hexane-1,5-diol;pentane-1,1-diol
CID 159179740
tetrakis(pentane-1,1-diol);bis(prop-2-enoic acid)
CID 175987497
bis(2-methylprop-2-enoic acid);pentane-1,1-diol
CID 87132551
hexane-1,1-diol carbonate
CID 22286932

Frequently Asked Questions

What is the IUPAC name of CID 172720711?
The IUPAC name of CID 172720711 (CID 172720711) is not available.
What is the SMILES notation for CID 172720711?
The canonical SMILES for CID 172720711 is CCCCC(O)O.[Mg].
What is the InChIKey of CID 172720711?
The InChIKey is GMBFSMQRJGDHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.Mg/c1-2-3-4-5(6)7;/h5-7H,2-4H2,1H3;.
What are the key properties of CID 172720711?
CID 172720711 has a molecular weight of 128.45 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172720711 is sourced from PubChem (CID 172720711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).