magnesium;hydride;pentyl acetate

C7H16MgO2 — CID 174803356

IUPACmagnesium;hydride;pentyl acetate
SMILESCCCCCOC(C)=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H14O2.Mg.2H/c1-3-4-5-6-9-7(2)8;;;/h3-6H2,1-2H3;;;/q;+2;2*-1
InChIKeyCZFNTOQEUMSAOB-UHFFFAOYSA-N
MW156.51 g/mol
LogP1.58
Rot. Bonds4

About magnesium;hydride;pentyl acetate

magnesium;hydride;pentyl acetate (PubChem CID 174803356) has the molecular formula C7H16MgO2 and a molecular weight of 156.51 g/mol. Its IUPAC name is magnesium;hydride;pentyl acetate.

Molecular Properties

Compound Namemagnesium;hydride;pentyl acetate
PubChem CID174803356
Molecular FormulaC7H16MgO2
Molecular Weight156.51 g/mol
Exact Mass156.10
IUPAC Namemagnesium;hydride;pentyl acetate
SMILESCCCCCOC(C)=O.[H-].[H-].[Mg+2]
InChIInChI=1S/C7H14O2.Mg.2H/c1-3-4-5-6-9-7(2)8;;;/h3-6H2,1-2H3;;;/q;+2;2*-1
InChIKeyCZFNTOQEUMSAOB-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.51
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174803218
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CID 162323537
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CID 170451195
acetic acid;octyl acetate
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CID 137406148
decyl acetate;ethyl acetate
CID 158679657
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CID 159701402
CID 159328585
CID 159328585

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;pentyl acetate?
The IUPAC name of magnesium;hydride;pentyl acetate (CID 174803356) is magnesium;hydride;pentyl acetate.
What is the SMILES notation for magnesium;hydride;pentyl acetate?
The canonical SMILES for magnesium;hydride;pentyl acetate is CCCCCOC(C)=O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;pentyl acetate?
The InChIKey is CZFNTOQEUMSAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.Mg.2H/c1-3-4-5-6-9-7(2)8;;;/h3-6H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;pentyl acetate?
magnesium;hydride;pentyl acetate has a molecular weight of 156.51 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;pentyl acetate is sourced from PubChem (CID 174803356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).