magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride

C11H11ClMgO — CID 134838180

IUPACmagnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride
SMILESCC12CC1(c1ccccc1)C2[O-].[Cl-].[Mg+2]
InChIInChI=1S/C11H11O.ClH.Mg/c1-10-7-11(10,9(10)12)8-5-3-2-4-6-8;;/h2-6,9H,7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyVRFZVLXKXGABLB-UHFFFAOYSA-M
MW218.97 g/mol
LogP-2.30
Rot. Bonds1

About magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride

magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride (PubChem CID 134838180) has the molecular formula C11H11ClMgO and a molecular weight of 218.97 g/mol. Its IUPAC name is magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride.

Molecular Properties

Compound Namemagnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride
PubChem CID134838180
Molecular FormulaC11H11ClMgO
Molecular Weight218.97 g/mol
Exact Mass218.03
IUPAC Namemagnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride
SMILESCC12CC1(c1ccccc1)C2[O-].[Cl-].[Mg+2]
InChIInChI=1S/C11H11O.ClH.Mg/c1-10-7-11(10,9(10)12)8-5-3-2-4-6-8;;/h2-6,9H,7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyVRFZVLXKXGABLB-UHFFFAOYSA-M
XLogP-2.30
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.97
LogP ≤ 5-2.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(1,3-dibromo-3-methylcyclobutyl)benzene
CID 134897738
2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
CID 13227702
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
1-methyl-3,5,7-triphenyladamantane
CID 20728636
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
(1S,2S,4R,8S,10S,11R)-1-methyl-11-phenyl-13-oxaheptacyclo[9.3.1.02,10.04,8.05,14.07,12.012,14]pentadecane-3,9-dione
CID 137325610
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(1R,1aS,6aR)-1-methyl-1a,6a-diphenyl-1,6-dihydrocyclopropa[a]indene
CID 134980767
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967

Frequently Asked Questions

What is the IUPAC name of magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride?
The IUPAC name of magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride (CID 134838180) is magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride.
What is the SMILES notation for magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride?
The canonical SMILES for magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride is CC12CC1(c1ccccc1)C2[O-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride?
The InChIKey is VRFZVLXKXGABLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11O.ClH.Mg/c1-10-7-11(10,9(10)12)8-5-3-2-4-6-8;;/h2-6,9H,7H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride?
magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride has a molecular weight of 218.97 g/mol, XLogP of -2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methyl-3-phenylbicyclo[1.1.0]butan-2-olate;chloride is sourced from PubChem (CID 134838180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).