magnesium;cyclohexyl butanoate;hydride

C10H20MgO2 — CID 174620917

IUPACmagnesium;cyclohexyl butanoate;hydride
SMILESCCCC(=O)OC1CCCCC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H18O2.Mg.2H/c1-2-6-10(11)12-9-7-4-3-5-8-9;;;/h9H,2-8H2,1H3;;;/q;+2;2*-1
InChIKeyBHCQCTSJVXFDJY-UHFFFAOYSA-N
MW196.57 g/mol
LogP2.51
Rot. Bonds3

About magnesium;cyclohexyl butanoate;hydride

magnesium;cyclohexyl butanoate;hydride (PubChem CID 174620917) has the molecular formula C10H20MgO2 and a molecular weight of 196.57 g/mol. Its IUPAC name is magnesium;cyclohexyl butanoate;hydride.

Molecular Properties

Compound Namemagnesium;cyclohexyl butanoate;hydride
PubChem CID174620917
Molecular FormulaC10H20MgO2
Molecular Weight196.57 g/mol
Exact Mass196.13
IUPAC Namemagnesium;cyclohexyl butanoate;hydride
SMILESCCCC(=O)OC1CCCCC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C10H18O2.Mg.2H/c1-2-6-10(11)12-9-7-4-3-5-8-9;;;/h9H,2-8H2,1H3;;;/q;+2;2*-1
InChIKeyBHCQCTSJVXFDJY-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.57
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium;cyclohexyl butanoate;hydride
CID 174359508
strontium;cyclohexyl butanoate;hydride
CID 173148532
copper;cyclohexyl butanoate
CID 67654151
dicyclohexyl pentanedioate
CID 15593941
cyclohexyl propanoate;dihydrochloride
CID 172803130
cyclohexyl 6-propoxyhexanoate
CID 134561647
cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 121469386
cyclobutyl pentadecanoate
CID 46229794
cyclohexyl butanoate;2-ethylhexanoic acid;zinc
CID 175558341
4-O-cycloheptyl 1-O-octadecyl butanedioate
CID 91710592
butane;3-cyclohexyloxy-3-oxopropanoic acid
CID 70481739
cycloheptyl 6-ethoxyhexanoate
CID 134561724

Frequently Asked Questions

What is the IUPAC name of magnesium;cyclohexyl butanoate;hydride?
The IUPAC name of magnesium;cyclohexyl butanoate;hydride (CID 174620917) is magnesium;cyclohexyl butanoate;hydride.
What is the SMILES notation for magnesium;cyclohexyl butanoate;hydride?
The canonical SMILES for magnesium;cyclohexyl butanoate;hydride is CCCC(=O)OC1CCCCC1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;cyclohexyl butanoate;hydride?
The InChIKey is BHCQCTSJVXFDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.Mg.2H/c1-2-6-10(11)12-9-7-4-3-5-8-9;;;/h9H,2-8H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;cyclohexyl butanoate;hydride?
magnesium;cyclohexyl butanoate;hydride has a molecular weight of 196.57 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;cyclohexyl butanoate;hydride is sourced from PubChem (CID 174620917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).