[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate

C15H27NO4 — CID 118458921

IUPAC[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1/C=C\COC(C(C)(C)C)OC1
InChIInChI=1S/C15H27NO4/c1-14(2,3)12-18-9-7-8-11(10-19-12)20-13(17)16-15(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,16,17)/b8-7-
InChIKeyMHMRXWPKIHJMAR-FPLPWBNLSA-N
MW285.38 g/mol
LogP2.85
Rot. Bonds1

About [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate

[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate (PubChem CID 118458921) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate
PubChem CID118458921
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1/C=C\COC(C(C)(C)C)OC1
InChIInChI=1S/C15H27NO4/c1-14(2,3)12-18-9-7-8-11(10-19-12)20-13(17)16-15(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,16,17)/b8-7-
InChIKeyMHMRXWPKIHJMAR-FPLPWBNLSA-N
XLogP2.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] carbonate;[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate;[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] tert-butylsulfanylformate;tert-butyl [(2E)-6-oxocyclooct-2-en-1-yl] carbonate;tert-butyl [(5E)-3,4,7,8-tetrahydro-2H-oxocin-4-yl] carbonate;[(2E)-6-hydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6-oxocyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-6-oxocyclooct-2-en-1-yl] tert-butylsulfanylformate;[(5E)-3,4,7,8-tetrahydro-2H-oxocin-4-yl] N-tert-butylcarbamate;[(5E)-3,4,7,8-tetrahydro-2H-oxocin-4-yl] tert-butylsulfanylformate
CID 159025246
[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547647
[(2E)-6-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458934
[(2E)-5-(tert-butylamino)cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547651
[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458844
[(2E)-5-(2,2-dimethylpropanoyl)-5-methylcyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 155458431
(3-sulfanylcyclobutyl) N-tert-butylcarbamate
CID 165144304
[(3R,3aR,6S,6aR)-3-(propan-2-ylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-tert-butylcarbamate
CID 163451146
5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate
CID 123660264
[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] acetate
CID 158066994
[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate
CID 25139109
2-tert-butyl-1,3-dioxan-5-ol
CID 10931729

Frequently Asked Questions

What is the IUPAC name of [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate?
The IUPAC name of [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate (CID 118458921) is [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate?
The canonical SMILES for [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1/C=C\COC(C(C)(C)C)OC1.
What is the InChIKey of [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate?
The InChIKey is MHMRXWPKIHJMAR-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H27NO4/c1-14(2,3)12-18-9-7-8-11(10-19-12)20-13(17)16-15(4,5)6/h7-8,11-12H,9-10H2,1-6H3,(H,16,17)/b8-7-.
What are the key properties of [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate?
[(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate has a molecular weight of 285.38 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-2-tert-butyl-5,8-dihydro-4H-1,3-dioxocin-5-yl] N-tert-butylcarbamate is sourced from PubChem (CID 118458921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).