tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate

C13H24O6 — CID 87663163

IUPACtert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
SMILESCC(C)(C)OC(=O)OCCCOC(=O)OC(C)(C)C
InChIInChI=1S/C13H24O6/c1-12(2,3)18-10(14)16-8-7-9-17-11(15)19-13(4,5)6/h7-9H2,1-6H3
InChIKeyOKNPCYZBUQVFPC-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.28
Rot. Bonds4

About tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate

tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate (PubChem CID 87663163) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate.

Molecular Properties

Compound Nametert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
PubChem CID87663163
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Nametert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate
SMILESCC(C)(C)OC(=O)OCCCOC(=O)OC(C)(C)C
InChIInChI=1S/C13H24O6/c1-12(2,3)18-10(14)16-8-7-9-17-11(15)19-13(4,5)6/h7-9H2,1-6H3
InChIKeyOKNPCYZBUQVFPC-UHFFFAOYSA-N
XLogP3.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl heptyl carbonate
CID 14883661
tert-butyl dodecyl carbonate
CID 13437280
6-aminohexyl tert-butyl carbonate;hydrochloride
CID 18431977
2-bromoethyl tert-butyl carbonate
CID 165178852
5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl tert-butyl carbonate
CID 23729656
tert-butyl 3-phenylpropyl carbonate
CID 24789021
tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]butyl carbonate
CID 152610717
3-aminopentyl tert-butyl carbonate
CID 174407601
tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate
CID 138563877
tert-butyl iodooxymethyl carbonate
CID 118480207
3-(benzylamino)propyl tert-butyl carbonate
CID 82533606
tert-butyl hydroxy carbonate
CID 19428429

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate?
The IUPAC name of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate (CID 87663163) is tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate.
What is the SMILES notation for tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate?
The canonical SMILES for tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate is CC(C)(C)OC(=O)OCCCOC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate?
The InChIKey is OKNPCYZBUQVFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-12(2,3)18-10(14)16-8-7-9-17-11(15)19-13(4,5)6/h7-9H2,1-6H3.
What are the key properties of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate?
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate has a molecular weight of 276.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl carbonate is sourced from PubChem (CID 87663163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).