magnesium;cyclohexyloxybenzene;hydride

C12H18MgO — CID 174438663

IUPACmagnesium;cyclohexyloxybenzene;hydride
SMILES[H-].[H-].[Mg+2].c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C12H16O.Mg.2H/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h1,3-4,7-8,12H,2,5-6,9-10H2;;;/q;+2;2*-1
InChIKeyGYHILLWPBQHICU-UHFFFAOYSA-N
MW202.58 g/mol
LogP3.24
Rot. Bonds2

About magnesium;cyclohexyloxybenzene;hydride

magnesium;cyclohexyloxybenzene;hydride (PubChem CID 174438663) has the molecular formula C12H18MgO and a molecular weight of 202.58 g/mol. Its IUPAC name is magnesium;cyclohexyloxybenzene;hydride.

Molecular Properties

Compound Namemagnesium;cyclohexyloxybenzene;hydride
PubChem CID174438663
Molecular FormulaC12H18MgO
Molecular Weight202.58 g/mol
Exact Mass202.12
IUPAC Namemagnesium;cyclohexyloxybenzene;hydride
SMILES[H-].[H-].[Mg+2].c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C12H16O.Mg.2H/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h1,3-4,7-8,12H,2,5-6,9-10H2;;;/q;+2;2*-1
InChIKeyGYHILLWPBQHICU-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.58
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
1-(7-cyclononyloxycyclodeca-1,3,5,7,9-pentaen-1-yl)ethanone
CID 91060627
3-phenoxycyclohexan-1-ol
CID 79617811
cyclohexyloxybenzene;methanol;piperidine-2,6-dione
CID 172630786
1,2-dicyclohexyloxybenzene
CID 67331328
4-cycloheptyloxyphenol
CID 67178425
4-phenoxypiperidin-1-ium
CID 38988695
4-phenoxyoxane
CID 58483739
3-cycloheptyloxypyridine
CID 112558615
N-methyl-3-phenoxycyclohexan-1-amine
CID 79618884
(3-methylphenoxy)cyclononane
CID 145391482
(3R)-3-phenoxypiperidine
CID 42553363

Frequently Asked Questions

What is the IUPAC name of magnesium;cyclohexyloxybenzene;hydride?
The IUPAC name of magnesium;cyclohexyloxybenzene;hydride (CID 174438663) is magnesium;cyclohexyloxybenzene;hydride.
What is the SMILES notation for magnesium;cyclohexyloxybenzene;hydride?
The canonical SMILES for magnesium;cyclohexyloxybenzene;hydride is [H-].[H-].[Mg+2].c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of magnesium;cyclohexyloxybenzene;hydride?
The InChIKey is GYHILLWPBQHICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.Mg.2H/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h1,3-4,7-8,12H,2,5-6,9-10H2;;;/q;+2;2*-1.
What are the key properties of magnesium;cyclohexyloxybenzene;hydride?
magnesium;cyclohexyloxybenzene;hydride has a molecular weight of 202.58 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;cyclohexyloxybenzene;hydride is sourced from PubChem (CID 174438663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).