bis(2,2-dimethyl-1-phenylpropyl) carbonate

C23H30O3 — CID 139502993

IUPACbis(2,2-dimethyl-1-phenylpropyl) carbonate
SMILESCC(C)(C)C(OC(=O)OC(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H30O3/c1-22(2,3)19(17-13-9-7-10-14-17)25-21(24)26-20(23(4,5)6)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3
InChIKeyLDRGTQKZEXERCY-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.71
Rot. Bonds4

About bis(2,2-dimethyl-1-phenylpropyl) carbonate

bis(2,2-dimethyl-1-phenylpropyl) carbonate (PubChem CID 139502993) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is bis(2,2-dimethyl-1-phenylpropyl) carbonate.

Molecular Properties

Compound Namebis(2,2-dimethyl-1-phenylpropyl) carbonate
PubChem CID139502993
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Namebis(2,2-dimethyl-1-phenylpropyl) carbonate
SMILESCC(C)(C)C(OC(=O)OC(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H30O3/c1-22(2,3)19(17-13-9-7-10-14-17)25-21(24)26-20(23(4,5)6)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3
InChIKeyLDRGTQKZEXERCY-UHFFFAOYSA-N
XLogP6.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis((2,2-dimethyl-1-phenylpropoxy)-dihydroxyphosphanium);nickel
CID 88804753
[(1R)-2,2-dimethyl-1-phenylpropoxy]-trimethylsilane
CID 101471174
4-methoxy-3,3-dimethyl-4-phenylbutan-2-one
CID 10420523
3-methoxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 100923277
(2,2-dimethyl-1-phenylpropoxy)imino-oxosilane
CID 139777207
(2,2,2-trifluoro-1-phenylethyl) hydrogen carbonate
CID 90981293
methyl (2R,3S)-2-acetamido-3-acetyloxy-2-methyl-3-phenylpropanoate
CID 40521530
[(1R,3R)-3-hydroxy-2,2-dimethyl-1,3-diphenylpropyl] benzoate
CID 15182984
(3S)-1-(2,2-dimethyl-1-phenylpropoxy)carbonyl-4-hydroxy-3-methylpyrrolidine-3-carboxylic acid
CID 68862737
(2,2,2-trichloro-1-phenylethyl) 2-phenylpropanoate
CID 174577634
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
(4-acetamido-2,2-dichloro-4-methyl-3-oxo-1-phenylpentyl) acetate
CID 10247919

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethyl-1-phenylpropyl) carbonate?
The IUPAC name of bis(2,2-dimethyl-1-phenylpropyl) carbonate (CID 139502993) is bis(2,2-dimethyl-1-phenylpropyl) carbonate.
What is the SMILES notation for bis(2,2-dimethyl-1-phenylpropyl) carbonate?
The canonical SMILES for bis(2,2-dimethyl-1-phenylpropyl) carbonate is CC(C)(C)C(OC(=O)OC(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of bis(2,2-dimethyl-1-phenylpropyl) carbonate?
The InChIKey is LDRGTQKZEXERCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-22(2,3)19(17-13-9-7-10-14-17)25-21(24)26-20(23(4,5)6)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3.
What are the key properties of bis(2,2-dimethyl-1-phenylpropyl) carbonate?
bis(2,2-dimethyl-1-phenylpropyl) carbonate has a molecular weight of 354.49 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethyl-1-phenylpropyl) carbonate is sourced from PubChem (CID 139502993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).