bis[2-(2-tert-butylphenyl)ethyl] carbonate

C25H34O3 — CID 67162129

IUPACbis[2-(2-tert-butylphenyl)ethyl] carbonate
SMILESCC(C)(C)c1ccccc1CCOC(=O)OCCc1ccccc1C(C)(C)C
InChIInChI=1S/C25H34O3/c1-24(2,3)21-13-9-7-11-19(21)15-17-27-23(26)28-18-16-20-12-8-10-14-22(20)25(4,5)6/h7-14H,15-18H2,1-6H3
InChIKeyCJTAITUTRLMZRY-UHFFFAOYSA-N
MW382.54 g/mol
LogP6.22
Rot. Bonds6

About bis[2-(2-tert-butylphenyl)ethyl] carbonate

bis[2-(2-tert-butylphenyl)ethyl] carbonate (PubChem CID 67162129) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is bis[2-(2-tert-butylphenyl)ethyl] carbonate.

Molecular Properties

Compound Namebis[2-(2-tert-butylphenyl)ethyl] carbonate
PubChem CID67162129
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Namebis[2-(2-tert-butylphenyl)ethyl] carbonate
SMILESCC(C)(C)c1ccccc1CCOC(=O)OCCc1ccccc1C(C)(C)C
InChIInChI=1S/C25H34O3/c1-24(2,3)21-13-9-7-11-19(21)15-17-27-23(26)28-18-16-20-12-8-10-14-22(20)25(4,5)6/h7-14H,15-18H2,1-6H3
InChIKeyCJTAITUTRLMZRY-UHFFFAOYSA-N
XLogP6.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-tert-butylphenyl)butanoate
CID 158714084
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;hydroiodide
CID 173064353
3-(2-tert-butylphenyl)propan-1-amine
CID 84772141
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478
N-[(2-tert-butylphenyl)methyl]acetamide
CID 89458599
2-[2-(2-sulfooxypropan-2-yl)phenyl]ethyl prop-2-enoate
CID 141175379
2-[2-(2-aminopropan-2-yl)phenyl]ethyl prop-2-enoate;sulfuric acid
CID 67537228
3-[2-(2-tert-butylphenyl)ethyl]-2-methylbenzoic acid
CID 151536342
2-[2-(trifluoromethyl)phenyl]ethyl prop-2-enoate
CID 150969987
3-[2-(2-tert-butylphenyl)ethyl]-2-ethoxybenzoic acid
CID 151402321
bis[2-[2-(pyridin-2-ylamino)phenyl]ethyl] carbonate
CID 67462750

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-tert-butylphenyl)ethyl] carbonate?
The IUPAC name of bis[2-(2-tert-butylphenyl)ethyl] carbonate (CID 67162129) is bis[2-(2-tert-butylphenyl)ethyl] carbonate.
What is the SMILES notation for bis[2-(2-tert-butylphenyl)ethyl] carbonate?
The canonical SMILES for bis[2-(2-tert-butylphenyl)ethyl] carbonate is CC(C)(C)c1ccccc1CCOC(=O)OCCc1ccccc1C(C)(C)C.
What is the InChIKey of bis[2-(2-tert-butylphenyl)ethyl] carbonate?
The InChIKey is CJTAITUTRLMZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3/c1-24(2,3)21-13-9-7-11-19(21)15-17-27-23(26)28-18-16-20-12-8-10-14-22(20)25(4,5)6/h7-14H,15-18H2,1-6H3.
What are the key properties of bis[2-(2-tert-butylphenyl)ethyl] carbonate?
bis[2-(2-tert-butylphenyl)ethyl] carbonate has a molecular weight of 382.54 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-tert-butylphenyl)ethyl] carbonate is sourced from PubChem (CID 67162129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).