carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane)

C36H55O3P2Rh- — CID 10974514

IUPACcarbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane)
SMILESCC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[C-]#CC(OC(C)=O)(c1ccccc1)c1ccccc1.[C-]#[O+].[Rh]
InChIInChI=1S/C17H13O2.2C9H21P.CO.Rh/c1-3-17(19-14(2)18,15-10-6-4-7-11-15)16-12-8-5-9-13-16;2*1-7(2)10(8(3)4)9(5)6;1-2;/h4-13H,2H3;2*7-9H,1-6H3;;/q-1;;;;
InChIKeyMFOKOZNGEALVDA-UHFFFAOYSA-N
MW700.69 g/mol
LogP10.43
Rot. Bonds9

About carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane)

carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane) (PubChem CID 10974514) has the molecular formula C36H55O3P2Rh- and a molecular weight of 700.69 g/mol. Its IUPAC name is carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane).

Molecular Properties

Compound Namecarbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane)
PubChem CID10974514
Molecular FormulaC36H55O3P2Rh-
Molecular Weight700.69 g/mol
Exact Mass700.27
IUPAC Namecarbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane)
SMILESCC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[C-]#CC(OC(C)=O)(c1ccccc1)c1ccccc1.[C-]#[O+].[Rh]
InChIInChI=1S/C17H13O2.2C9H21P.CO.Rh/c1-3-17(19-14(2)18,15-10-6-4-7-11-15)16-12-8-5-9-13-16;2*1-7(2)10(8(3)4)9(5)6;1-2;/h4-13H,2H3;2*7-9H,1-6H3;;/q-1;;;;
InChIKeyMFOKOZNGEALVDA-UHFFFAOYSA-N
XLogP10.43
TPSA46.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.69
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-acetyloxy-1-phenylethyl) acetate
CID 11586599
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate
CID 134546197
bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
[(1S)-1-cyano-1-phenylpropyl] acetate
CID 102321496
[(1S)-1-cyano-1-phenylethyl] acetate
CID 13433573
2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one
CID 150218147
3-acetyloxy-3-hydroxy-2-oxo-3-phenylpropanoic acid
CID 91042955
[acetyloxy(diphenyl)methyl]-oxosulfanium
CID 174491893
(3-fluoro-2-phenylbut-3-en-2-yl) acetate
CID 10910741
[1-(benzenesulfonyloxy)-2-methyl-1-phenylpropyl] acetate
CID 87297204
(2,3-diamino-1,1,1-triphenylpropan-2-yl) acetate
CID 141429287

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane)?
The IUPAC name of carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane) (CID 10974514) is carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane).
What is the SMILES notation for carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane)?
The canonical SMILES for carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane) is CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[C-]#CC(OC(C)=O)(c1ccccc1)c1ccccc1.[C-]#[O+].[Rh].
What is the InChIKey of carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane)?
The InChIKey is MFOKOZNGEALVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13O2.2C9H21P.CO.Rh/c1-3-17(19-14(2)18,15-10-6-4-7-11-15)16-12-8-5-9-13-16;2*1-7(2)10(8(3)4)9(5)6;1-2;/h4-13H,2H3;2*7-9H,1-6H3;;/q-1;;;;.
What are the key properties of carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane)?
carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane) has a molecular weight of 700.69 g/mol, XLogP of 10.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1,1-diphenylprop-2-ynyl acetate;rhodium;bis(tri(propan-2-yl)phosphane) is sourced from PubChem (CID 10974514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).