tert-butyl phenyl carbonate;oxocobalt;propoxybenzene

C20H24CoO5-2 — CID 89186013

IUPACtert-butyl phenyl carbonate;oxocobalt;propoxybenzene
SMILESCC(C)(C)OC(=O)Oc1cc[c-]cc1.CCCOc1cc[c-]cc1.O=[Co]
InChIInChI=1S/C11H13O3.C9H11O.Co.O/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;1-2-8-10-9-6-4-3-5-7-9;;/h5-8H,1-3H3;4-7H,2,8H2,1H3;;/q2*-1;;
InChIKeyHVGCDRIKXYBSPE-UHFFFAOYSA-N
MW403.34 g/mol
LogP4.95
Rot. Bonds4

About tert-butyl phenyl carbonate;oxocobalt;propoxybenzene

tert-butyl phenyl carbonate;oxocobalt;propoxybenzene (PubChem CID 89186013) has the molecular formula C20H24CoO5-2 and a molecular weight of 403.34 g/mol. Its IUPAC name is tert-butyl phenyl carbonate;oxocobalt;propoxybenzene.

Molecular Properties

Compound Nametert-butyl phenyl carbonate;oxocobalt;propoxybenzene
PubChem CID89186013
Molecular FormulaC20H24CoO5-2
Molecular Weight403.34 g/mol
Exact Mass403.10
IUPAC Nametert-butyl phenyl carbonate;oxocobalt;propoxybenzene
SMILESCC(C)(C)OC(=O)Oc1cc[c-]cc1.CCCOc1cc[c-]cc1.O=[Co]
InChIInChI=1S/C11H13O3.C9H11O.Co.O/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;1-2-8-10-9-6-4-3-5-7-9;;/h5-8H,1-3H3;4-7H,2,8H2,1H3;;/q2*-1;;
InChIKeyHVGCDRIKXYBSPE-UHFFFAOYSA-N
XLogP4.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyphenyl) (4-propoxyphenyl) carbonate
CID 57144136
tert-butyl (4-butylphenyl) carbonate
CID 22625486
tert-butyl (4-hydroxyphenyl) carbonate
CID 22345869
tert-butyl N-[1-hydroxy-1-(4-propoxyphenyl)ethyl]carbamate
CID 174717157
tert-butyl (4-fluorophenyl) carbonate
CID 67162624
tert-butyl (4-iodophenyl) carbonate
CID 22345872
[4-[2-[4-[1,1-bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]ethyl]phenyl]propan-2-yl]phenyl] tert-butyl carbonate
CID 59938996
tert-butyl (4-methylsulfanylphenyl) carbonate
CID 15044335
tert-butyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 20610670
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
tert-butyl [4-[1-ethyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]butyl]phenyl] carbonate
CID 18730244
[4-[1,1-bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]ethyl]phenyl] tert-butyl carbonate;2-methoxybutane
CID 161066558

Frequently Asked Questions

What is the IUPAC name of tert-butyl phenyl carbonate;oxocobalt;propoxybenzene?
The IUPAC name of tert-butyl phenyl carbonate;oxocobalt;propoxybenzene (CID 89186013) is tert-butyl phenyl carbonate;oxocobalt;propoxybenzene.
What is the SMILES notation for tert-butyl phenyl carbonate;oxocobalt;propoxybenzene?
The canonical SMILES for tert-butyl phenyl carbonate;oxocobalt;propoxybenzene is CC(C)(C)OC(=O)Oc1cc[c-]cc1.CCCOc1cc[c-]cc1.O=[Co].
What is the InChIKey of tert-butyl phenyl carbonate;oxocobalt;propoxybenzene?
The InChIKey is HVGCDRIKXYBSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O3.C9H11O.Co.O/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9;1-2-8-10-9-6-4-3-5-7-9;;/h5-8H,1-3H3;4-7H,2,8H2,1H3;;/q2*-1;;.
What are the key properties of tert-butyl phenyl carbonate;oxocobalt;propoxybenzene?
tert-butyl phenyl carbonate;oxocobalt;propoxybenzene has a molecular weight of 403.34 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl phenyl carbonate;oxocobalt;propoxybenzene is sourced from PubChem (CID 89186013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).