CID 158703292

C6H10MgO2 — CID 158703292

IUPAC—
SMILESCCC=C(C)C(=O)O.[Mg]
InChIInChI=1S/C6H10O2.Mg/c1-3-4-5(2)6(7)8;/h4H,3H2,1-2H3,(H,7,8);
InChIKeyIHUUKORLIFIFEP-UHFFFAOYSA-N
MW138.45 g/mol
LogP1.05
Rot. Bonds2

About CID 158703292

CID 158703292 (PubChem CID 158703292) has the molecular formula C6H10MgO2 and a molecular weight of 138.45 g/mol.

Molecular Properties

Compound NameCID 158703292
PubChem CID158703292
Molecular FormulaC6H10MgO2
Molecular Weight138.45 g/mol
Exact Mass138.05
IUPAC Name—
SMILESCCC=C(C)C(=O)O.[Mg]
InChIInChI=1S/C6H10O2.Mg/c1-3-4-5(2)6(7)8;/h4H,3H2,1-2H3,(H,7,8);
InChIKeyIHUUKORLIFIFEP-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.45
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 158703292 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanediimine;bis(2-methylpent-2-enoic acid)
CID 173345731
6-hydroxy-2-methylhex-2-enoic acid;2-methylpent-2-enoic acid
CID 173373377
5-hydroxy-2-methylpent-2-enoic acid;2-methylpent-2-enoic acid;prop-2-enoic acid
CID 173423992
4-(methylamino)butanoic acid;2-methylpent-2-enoic acid
CID 173090742
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
(2E,4E)-4-ethyl-2-methylhepta-2,4-dienoic acid
CID 11309745
(E)-2-methylpent-2-enoate
CID 7006461
4-fluoro-2-methylbut-2-enoic acid
CID 57003998
(E)-2-methylpent-2-enethioate
CID 6365955
2-methylpent-2-enamide
CID 66895957
6-iodo-2-methylhexa-2,5-dienoic acid
CID 173232639
(E)-2-methylpent-2-enoic acid;4,5,6,7-tetrahydroisoindole-1,3-dione
CID 67428325

Frequently Asked Questions

What is the IUPAC name of CID 158703292?
The IUPAC name of CID 158703292 (CID 158703292) is not available.
What is the SMILES notation for CID 158703292?
The canonical SMILES for CID 158703292 is CCC=C(C)C(=O)O.[Mg].
What is the InChIKey of CID 158703292?
The InChIKey is IHUUKORLIFIFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.Mg/c1-3-4-5(2)6(7)8;/h4H,3H2,1-2H3,(H,7,8);.
What are the key properties of CID 158703292?
CID 158703292 has a molecular weight of 138.45 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158703292 is sourced from PubChem (CID 158703292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).