methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium)

C35H36N2O4Rh2 — CID 162276044

IUPACmethyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium)
SMILESC=C(c1ccccc1)c1ccccc1.COC(=O)C(C)=[N+]=[N-].C[C@]1(C(O)O)CC1(c1ccccc1)c1ccccc1.[Rh].[Rh]
InChIInChI=1S/C17H18O2.C14H12.C4H6N2O2.2Rh/c1-16(15(18)19)12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3(6-5)4(7)8-2;;/h2-11,15,18-19H,12H2,1H3;2-11H,1H2;1-2H3;;/t16-;;;;/m1..../s1
InChIKeyQKTQPNOJHQVHDZ-XIYRCBLHSA-N
MW754.50 g/mol
LogP6.29
Rot. Bonds6

About methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium)

methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium) (PubChem CID 162276044) has the molecular formula C35H36N2O4Rh2 and a molecular weight of 754.50 g/mol. Its IUPAC name is methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium).

Molecular Properties

Compound Namemethyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium)
PubChem CID162276044
Molecular FormulaC35H36N2O4Rh2
Molecular Weight754.50 g/mol
Exact Mass754.08
IUPAC Namemethyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium)
SMILESC=C(c1ccccc1)c1ccccc1.COC(=O)C(C)=[N+]=[N-].C[C@]1(C(O)O)CC1(c1ccccc1)c1ccccc1.[Rh].[Rh]
InChIInChI=1S/C17H18O2.C14H12.C4H6N2O2.2Rh/c1-16(15(18)19)12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3(6-5)4(7)8-2;;/h2-11,15,18-19H,12H2,1H3;2-11H,1H2;1-2H3;;/t16-;;;;/m1..../s1
InChIKeyQKTQPNOJHQVHDZ-XIYRCBLHSA-N
XLogP6.29
TPSA103.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.50
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol
CID 162276045
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
methyl (3S)-2-diazo-3-hydroxy-5-phenylpent-4-ynoate
CID 135869335
methyl 2-benzhydrylprop-2-enoate
CID 67016942
methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate
CID 137234398
methyl (Z)-4-oxo-4-phenyl-2-sulfanylbut-2-enoate
CID 143031018
methyl benzoate azide
CID 161139797
1-diazo-1-phenylpropan-2-one
CID 72828466
methyl 2-diazo-2-(1,3-diphenylimidazolidin-2-yl)acetate
CID 137292229
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
methyl 2-methylprop-2-enoate;phenylsulfanylbenzene
CID 174614138

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium)?
The IUPAC name of methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium) (CID 162276044) is methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium).
What is the SMILES notation for methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium)?
The canonical SMILES for methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium) is C=C(c1ccccc1)c1ccccc1.COC(=O)C(C)=[N+]=[N-].C[C@]1(C(O)O)CC1(c1ccccc1)c1ccccc1.[Rh].[Rh].
What is the InChIKey of methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium)?
The InChIKey is QKTQPNOJHQVHDZ-XIYRCBLHSA-N. The full InChI is InChI=1S/C17H18O2.C14H12.C4H6N2O2.2Rh/c1-16(15(18)19)12-17(16,13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3(6-5)4(7)8-2;;/h2-11,15,18-19H,12H2,1H3;2-11H,1H2;1-2H3;;/t16-;;;;/m1..../s1.
What are the key properties of methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium)?
methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium) has a molecular weight of 754.50 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazopropanoate;[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol;1-phenylethenylbenzene;bis(rhodium) is sourced from PubChem (CID 162276044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).