tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate

C10H20O4 — CID 138563877

IUPACtert-butyl (2-methylpropan-2-yl)oxymethyl carbonate
SMILESCC(C)(C)OCOC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O4/c1-9(2,3)13-7-12-8(11)14-10(4,5)6/h7H2,1-6H3
InChIKeyVEBBLQWIPVJPND-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate

tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate (PubChem CID 138563877) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate.

Molecular Properties

Compound Nametert-butyl (2-methylpropan-2-yl)oxymethyl carbonate
PubChem CID138563877
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Nametert-butyl (2-methylpropan-2-yl)oxymethyl carbonate
SMILESCC(C)(C)OCOC(=O)OC(C)(C)C
InChIInChI=1S/C10H20O4/c1-9(2,3)13-7-12-8(11)14-10(4,5)6/h7H2,1-6H3
InChIKeyVEBBLQWIPVJPND-UHFFFAOYSA-N
XLogP2.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl iodooxymethyl carbonate
CID 118480207
(2-methylpropan-2-yl)oxymethyl carbamate
CID 122482739
tert-butyl phosphonooxymethyl carbonate
CID 89472425
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
CID 87663163
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 87709759
2-bromoethyl tert-butyl carbonate
CID 165178852
tert-butyl hydroxy carbonate
CID 19428429
tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 166066417
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate
CID 125471896
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
ditert-butyl carbonate;diethylamino(trihydroxy)phosphanium
CID 159004388
tert-butyl heptyl carbonate
CID 14883661

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate?
The IUPAC name of tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate (CID 138563877) is tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate.
What is the SMILES notation for tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate?
The canonical SMILES for tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate is CC(C)(C)OCOC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate?
The InChIKey is VEBBLQWIPVJPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-9(2,3)13-7-12-8(11)14-10(4,5)6/h7H2,1-6H3.
What are the key properties of tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate?
tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate has a molecular weight of 204.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate is sourced from PubChem (CID 138563877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).