(2-tert-butylphenyl) 2-methylbutan-2-yl carbonate

C16H24O3 — CID 67161729

IUPAC(2-tert-butylphenyl) 2-methylbutan-2-yl carbonate
SMILESCCC(C)(C)OC(=O)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C16H24O3/c1-7-16(5,6)19-14(17)18-13-11-9-8-10-12(13)15(2,3)4/h8-11H,7H2,1-6H3
InChIKeyQBQPVCGOEMKDRK-UHFFFAOYSA-N
MW264.36 g/mol
LogP4.69
Rot. Bonds3

About (2-tert-butylphenyl) 2-methylbutan-2-yl carbonate

(2-tert-butylphenyl) 2-methylbutan-2-yl carbonate (PubChem CID 67161729) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (2-tert-butylphenyl) 2-methylbutan-2-yl carbonate.

Molecular Properties

Compound Name(2-tert-butylphenyl) 2-methylbutan-2-yl carbonate
PubChem CID67161729
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(2-tert-butylphenyl) 2-methylbutan-2-yl carbonate
SMILESCCC(C)(C)OC(=O)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C16H24O3/c1-7-16(5,6)19-14(17)18-13-11-9-8-10-12(13)15(2,3)4/h8-11H,7H2,1-6H3
InChIKeyQBQPVCGOEMKDRK-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl) 2-methylbutan-2-yl carbonate?
The IUPAC name of (2-tert-butylphenyl) 2-methylbutan-2-yl carbonate (CID 67161729) is (2-tert-butylphenyl) 2-methylbutan-2-yl carbonate.
What is the SMILES notation for (2-tert-butylphenyl) 2-methylbutan-2-yl carbonate?
The canonical SMILES for (2-tert-butylphenyl) 2-methylbutan-2-yl carbonate is CCC(C)(C)OC(=O)Oc1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl) 2-methylbutan-2-yl carbonate?
The InChIKey is QBQPVCGOEMKDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-7-16(5,6)19-14(17)18-13-11-9-8-10-12(13)15(2,3)4/h8-11H,7H2,1-6H3.
What are the key properties of (2-tert-butylphenyl) 2-methylbutan-2-yl carbonate?
(2-tert-butylphenyl) 2-methylbutan-2-yl carbonate has a molecular weight of 264.36 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl) 2-methylbutan-2-yl carbonate is sourced from PubChem (CID 67161729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).