tert-butyl hydroxy carbonate

C5H10O4 — CID 19428429

IUPACtert-butyl hydroxy carbonate
SMILESCC(C)(C)OC(=O)OO
InChIInChI=1S/C5H10O4/c1-5(2,3)8-4(6)9-7/h7H,1-3H3
InChIKeyYOEYNURYLFDCEV-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.41
Rot. Bonds

About tert-butyl hydroxy carbonate

tert-butyl hydroxy carbonate (PubChem CID 19428429) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is tert-butyl hydroxy carbonate.

Molecular Properties

Compound Nametert-butyl hydroxy carbonate
PubChem CID19428429
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Nametert-butyl hydroxy carbonate
SMILESCC(C)(C)OC(=O)OO
InChIInChI=1S/C5H10O4/c1-5(2,3)8-4(6)9-7/h7H,1-3H3
InChIKeyYOEYNURYLFDCEV-UHFFFAOYSA-N
XLogP1.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonyloxy]hydrazinyl] carbonate
CID 22076491
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
CID 87663163
tert-butyl nitroso carbonate
CID 57281441
sodium (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 141211109
tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate
CID 138563877
tert-butyl acetate
CID 159704758
2-bromoethyl tert-butyl carbonate
CID 165178852
tert-butyl (propan-2-ylideneamino) carbonate
CID 11116536
tert-butyl carboxyoxyperoxy carbonate
CID 54274737
tert-butyl iodooxymethyl carbonate
CID 118480207
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
ditert-butyl oxalate;hydrazine
CID 88669499

Frequently Asked Questions

What is the IUPAC name of tert-butyl hydroxy carbonate?
The IUPAC name of tert-butyl hydroxy carbonate (CID 19428429) is tert-butyl hydroxy carbonate.
What is the SMILES notation for tert-butyl hydroxy carbonate?
The canonical SMILES for tert-butyl hydroxy carbonate is CC(C)(C)OC(=O)OO.
What is the InChIKey of tert-butyl hydroxy carbonate?
The InChIKey is YOEYNURYLFDCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-5(2,3)8-4(6)9-7/h7H,1-3H3.
What are the key properties of tert-butyl hydroxy carbonate?
tert-butyl hydroxy carbonate has a molecular weight of 134.13 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl hydroxy carbonate is sourced from PubChem (CID 19428429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).