methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane)

C10H8F18O2P6Rh2 — CID 134899942

IUPACmethyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane)
SMILESCOC(=O)C#Cc1ccccc1.FP(F)F.FP(F)F.FP(F)F.FP(F)F.FP(F)F.FP(F)F.[Rh].[Rh]
InChIInChI=1S/C10H8O2.6F3P.2Rh/c1-12-10(11)8-7-9-5-3-2-4-6-9;6*1-4(2)3;;/h2-6H,1H3;;;;;;;;
InChIKeyOUULUMOUQZGEMG-UHFFFAOYSA-N
MW893.79 g/mol
LogP13.94
Rot. Bonds

About methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane)

methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane) (PubChem CID 134899942) has the molecular formula C10H8F18O2P6Rh2 and a molecular weight of 893.79 g/mol. Its IUPAC name is methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane).

Molecular Properties

Compound Namemethyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane)
PubChem CID134899942
Molecular FormulaC10H8F18O2P6Rh2
Molecular Weight893.79 g/mol
Exact Mass893.68
IUPAC Namemethyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane)
SMILESCOC(=O)C#Cc1ccccc1.FP(F)F.FP(F)F.FP(F)F.FP(F)F.FP(F)F.FP(F)F.[Rh].[Rh]
InChIInChI=1S/C10H8O2.6F3P.2Rh/c1-12-10(11)8-7-9-5-3-2-4-6-9;6*1-4(2)3;;/h2-6H,1H3;;;;;;;;
InChIKeyOUULUMOUQZGEMG-UHFFFAOYSA-N
XLogP13.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.79
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-(3-phenylprop-2-ynoyloxy)propanedioate
CID 122232184
CID 89411832
CID 89411832
4-(3-phenylprop-2-ynoyloxy)butyl 3-phenylprop-2-ynoate
CID 2755244
methyl 3-(3-formylphenyl)prop-2-ynoate
CID 122242925
(2,3,4,5,6-pentamethylphenyl) 3-phenylprop-2-ynoate
CID 12036893
[(1S)-1-phenylethyl] 3-phenylprop-2-ynoate
CID 102572800
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
butyl 3-phenylprop-2-ynoate
CID 11769566
1,7-diphenylhepta-1,6-diyne-3,5-dione
CID 118147501
methyl 3-(3-propylphenyl)prop-2-ynoate
CID 116545604
methyl 2-[(2-methoxy-2-oxoethyl)-(3-phenylprop-2-ynoyl)amino]acetate
CID 62952801
4-phenylbut-1-en-3-yn-2-yl acetate
CID 15864474

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane)?
The IUPAC name of methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane) (CID 134899942) is methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane).
What is the SMILES notation for methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane)?
The canonical SMILES for methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane) is COC(=O)C#Cc1ccccc1.FP(F)F.FP(F)F.FP(F)F.FP(F)F.FP(F)F.FP(F)F.[Rh].[Rh].
What is the InChIKey of methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane)?
The InChIKey is OUULUMOUQZGEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.6F3P.2Rh/c1-12-10(11)8-7-9-5-3-2-4-6-9;6*1-4(2)3;;/h2-6H,1H3;;;;;;;;.
What are the key properties of methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane)?
methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane) has a molecular weight of 893.79 g/mol, XLogP of 13.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenylprop-2-ynoate;bis(rhodium);hexakis(trifluorophosphane) is sourced from PubChem (CID 134899942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).