[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate

C18H26O6 — CID 59544142

IUPAC[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate
SMILESCOC(=O)OCC(C)(C)c1cc(C(C)(C)C)ccc1OC(=O)OC
InChIInChI=1S/C18H26O6/c1-17(2,3)12-8-9-14(24-16(20)22-7)13(10-12)18(4,5)11-23-15(19)21-6/h8-10H,11H2,1-7H3
InChIKeyZUWYNTJWMPTUGB-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.19
Rot. Bonds4

About [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate

[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate (PubChem CID 59544142) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate.

Molecular Properties

Compound Name[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate
PubChem CID59544142
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Name[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate
SMILESCOC(=O)OCC(C)(C)c1cc(C(C)(C)C)ccc1OC(=O)OC
InChIInChI=1S/C18H26O6/c1-17(2,3)12-8-9-14(24-16(20)22-7)13(10-12)18(4,5)11-23-15(19)21-6/h8-10H,11H2,1-7H3
InChIKeyZUWYNTJWMPTUGB-UHFFFAOYSA-N
XLogP4.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)-5-nitrophenyl] methyl carbonate;[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate;deuterioethane;nitric acid
CID 159270347
[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate
CID 138660138
[4-tert-butyl-2-(2-cyanopropan-2-yl)phenyl] methyl carbonate
CID 59544146
bis[2,4-bis(2-methylheptan-2-yl)phenyl] carbonate
CID 141011315
[4-[2-(4-methoxycarbonyloxy-3-propylphenyl)propan-2-yl]-2-propylphenyl] methyl carbonate
CID 161475917
2-[3,3-bis[3-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]butanoyloxy]ethyl 3,3-bis[3-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]butanoate
CID 118443282
methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate
CID 94156912
(2,4-ditert-butylphenyl) 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 14832985
[2-(2-ethoxycarbonyloxy-4-fluorophenyl)-2-methylpropyl] ethyl carbonate
CID 118612744
[2,4-bis(2-methylbutan-2-yl)phenyl] 3,5-ditert-butylbenzoate
CID 57060342
ethyl 5-tert-butyl-2-ethoxycarbonyloxybenzoate
CID 122517402
3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
CID 82160103

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate?
The IUPAC name of [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate (CID 59544142) is [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate.
What is the SMILES notation for [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate?
The canonical SMILES for [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate is COC(=O)OCC(C)(C)c1cc(C(C)(C)C)ccc1OC(=O)OC.
What is the InChIKey of [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate?
The InChIKey is ZUWYNTJWMPTUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6/c1-17(2,3)12-8-9-14(24-16(20)22-7)13(10-12)18(4,5)11-23-15(19)21-6/h8-10H,11H2,1-7H3.
What are the key properties of [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate?
[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate has a molecular weight of 338.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate is sourced from PubChem (CID 59544142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).