bis(2-methyl-1,1-diphenylpropyl) carbonate

C33H34O3 — CID 70626235

IUPACbis(2-methyl-1,1-diphenylpropyl) carbonate
SMILESCC(C)C(OC(=O)OC(c1ccccc1)(c1ccccc1)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34O3/c1-25(2)32(27-17-9-5-10-18-27,28-19-11-6-12-20-28)35-31(34)36-33(26(3)4,29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26H,1-4H3
InChIKeyJGLMPAIOEDOUMF-UHFFFAOYSA-N
MW478.63 g/mol
LogP8.34
Rot. Bonds8

About bis(2-methyl-1,1-diphenylpropyl) carbonate

bis(2-methyl-1,1-diphenylpropyl) carbonate (PubChem CID 70626235) has the molecular formula C33H34O3 and a molecular weight of 478.63 g/mol. Its IUPAC name is bis(2-methyl-1,1-diphenylpropyl) carbonate.

Molecular Properties

Compound Namebis(2-methyl-1,1-diphenylpropyl) carbonate
PubChem CID70626235
Molecular FormulaC33H34O3
Molecular Weight478.63 g/mol
Exact Mass478.25
IUPAC Namebis(2-methyl-1,1-diphenylpropyl) carbonate
SMILESCC(C)C(OC(=O)OC(c1ccccc1)(c1ccccc1)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34O3/c1-25(2)32(27-17-9-5-10-18-27,28-19-11-6-12-20-28)35-31(34)36-33(26(3)4,29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26H,1-4H3
InChIKeyJGLMPAIOEDOUMF-UHFFFAOYSA-N
XLogP8.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate
CID 67932037
(2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate
CID 71365812
methyl 3-methyl-2-phenyl-2-silylbutanoate
CID 174683838
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
[1-[(E)-[1-(2-methylpropanoyloxy)-1-phenylethyl]diazenyl]-1-phenylethyl] 2-methylpropanoate
CID 15577795
2-acetamido-3-methyl-2-phenylbutanoic acid
CID 63701624
potassium;sodium;2-phenyl-2-propan-2-ylpropanedioate
CID 139411731
lithium;sodium;hydride;2-phenyl-2-propan-2-ylpropanedioic acid
CID 174968652
2-chloro-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 140979566
2-ethoxy-3-methyl-2-phenylbutanoic acid
CID 15450552
[(2S,3S)-3-methyl-4-oxo-2-phenylpentan-2-yl] acetate
CID 134546197
3-methoxy-2-methoxycarbonyl-3,3-diphenylpropanoic acid
CID 163212872

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-1,1-diphenylpropyl) carbonate?
The IUPAC name of bis(2-methyl-1,1-diphenylpropyl) carbonate (CID 70626235) is bis(2-methyl-1,1-diphenylpropyl) carbonate.
What is the SMILES notation for bis(2-methyl-1,1-diphenylpropyl) carbonate?
The canonical SMILES for bis(2-methyl-1,1-diphenylpropyl) carbonate is CC(C)C(OC(=O)OC(c1ccccc1)(c1ccccc1)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2-methyl-1,1-diphenylpropyl) carbonate?
The InChIKey is JGLMPAIOEDOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O3/c1-25(2)32(27-17-9-5-10-18-27,28-19-11-6-12-20-28)35-31(34)36-33(26(3)4,29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26H,1-4H3.
What are the key properties of bis(2-methyl-1,1-diphenylpropyl) carbonate?
bis(2-methyl-1,1-diphenylpropyl) carbonate has a molecular weight of 478.63 g/mol, XLogP of 8.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-1,1-diphenylpropyl) carbonate is sourced from PubChem (CID 70626235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).