[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate

C17H26O3 — CID 138660138

IUPAC[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate
SMILESCCC(C)(C)c1ccc(OC(=O)OC)c(C(C)(C)C)c1
InChIInChI=1S/C17H26O3/c1-8-17(5,6)12-9-10-14(20-15(18)19-7)13(11-12)16(2,3)4/h9-11H,8H2,1-7H3
InChIKeyVEVIWMATZNBNJH-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.82
Rot. Bonds3

About [2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate

[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate (PubChem CID 138660138) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is [2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate.

Molecular Properties

Compound Name[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate
PubChem CID138660138
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate
SMILESCCC(C)(C)c1ccc(OC(=O)OC)c(C(C)(C)C)c1
InChIInChI=1S/C17H26O3/c1-8-17(5,6)12-9-10-14(20-15(18)19-7)13(11-12)16(2,3)4/h9-11H,8H2,1-7H3
InChIKeyVEVIWMATZNBNJH-UHFFFAOYSA-N
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-tert-butyl-2-(1-methoxycarbonyloxy-2-methylpropan-2-yl)phenyl] methyl carbonate
CID 59544142
[2,4-bis(2-methylbutan-2-yl)phenyl] 3,5-ditert-butylbenzoate
CID 57060342
[4-tert-butyl-2-(2-cyanopropan-2-yl)phenyl] methyl carbonate
CID 59544146
[2,4-bis(2-methylbutan-2-yl)phenyl] 3-tert-butyl-4-hydroxybenzoate
CID 14765967
[2,4-bis(2-methylbutan-2-yl)phenyl] 4-hydroxybenzoate
CID 20611974
bis[2,4-bis(2-methylheptan-2-yl)phenyl] carbonate
CID 141011315
methyl 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoate
CID 54082912
1-O-[2,4-bis(2-methylbutan-2-yl)phenyl] 2-O-[2-(2-methylbutan-2-yl)phenyl] benzene-1,2-dicarboxylate
CID 21340048
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol
CID 163614465
[4-[2-(4-methoxycarbonyloxy-3-propylphenyl)propan-2-yl]-2-propylphenyl] methyl carbonate
CID 161475917
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate?
The IUPAC name of [2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate (CID 138660138) is [2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate.
What is the SMILES notation for [2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate?
The canonical SMILES for [2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate is CCC(C)(C)c1ccc(OC(=O)OC)c(C(C)(C)C)c1.
What is the InChIKey of [2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate?
The InChIKey is VEVIWMATZNBNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-8-17(5,6)12-9-10-14(20-15(18)19-7)13(11-12)16(2,3)4/h9-11H,8H2,1-7H3.
What are the key properties of [2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate?
[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate has a molecular weight of 278.39 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate is sourced from PubChem (CID 138660138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).