magnesium;dibutyl carbonate;hydride

C9H20MgO3 — CID 174500135

IUPACmagnesium;dibutyl carbonate;hydride
SMILESCCCCOC(=O)OCCCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H18O3.Mg.2H/c1-3-5-7-11-9(10)12-8-6-4-2;;;/h3-8H2,1-2H3;;;/q;+2;2*-1
InChIKeyLGWWHYXASWGQNR-UHFFFAOYSA-N
MW200.56 g/mol
LogP2.58
Rot. Bonds6

About magnesium;dibutyl carbonate;hydride

magnesium;dibutyl carbonate;hydride (PubChem CID 174500135) has the molecular formula C9H20MgO3 and a molecular weight of 200.56 g/mol. Its IUPAC name is magnesium;dibutyl carbonate;hydride.

Molecular Properties

Compound Namemagnesium;dibutyl carbonate;hydride
PubChem CID174500135
Molecular FormulaC9H20MgO3
Molecular Weight200.56 g/mol
Exact Mass200.13
IUPAC Namemagnesium;dibutyl carbonate;hydride
SMILESCCCCOC(=O)OCCCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H18O3.Mg.2H/c1-3-5-7-11-9(10)12-8-6-4-2;;;/h3-8H2,1-2H3;;;/q;+2;2*-1
InChIKeyLGWWHYXASWGQNR-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.56
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
3-butoxypropyl butyl carbonate
CID 87247588
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
butyl 3-methoxypropyl carbonate
CID 87247582
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
tetrakis(barium(2+));bis(butoxycarbonyl) carbonate;hydride
CID 174616136
azane;dioctyl carbonate
CID 174626203
bis(butoxycarbonyl) carbonate
CID 87650057

Frequently Asked Questions

What is the IUPAC name of magnesium;dibutyl carbonate;hydride?
The IUPAC name of magnesium;dibutyl carbonate;hydride (CID 174500135) is magnesium;dibutyl carbonate;hydride.
What is the SMILES notation for magnesium;dibutyl carbonate;hydride?
The canonical SMILES for magnesium;dibutyl carbonate;hydride is CCCCOC(=O)OCCCC.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;dibutyl carbonate;hydride?
The InChIKey is LGWWHYXASWGQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.Mg.2H/c1-3-5-7-11-9(10)12-8-6-4-2;;;/h3-8H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of magnesium;dibutyl carbonate;hydride?
magnesium;dibutyl carbonate;hydride has a molecular weight of 200.56 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dibutyl carbonate;hydride is sourced from PubChem (CID 174500135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).