(1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate

C15H20O6 — CID 102005654

IUPAC(1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate
SMILESCCOC(=O)OCC(C)(OC(=O)OCC)c1ccccc1
InChIInChI=1S/C15H20O6/c1-4-18-13(16)20-11-15(3,21-14(17)19-5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyLQESGRMPYSXTNS-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.25
Rot. Bonds6

About (1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate

(1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate (PubChem CID 102005654) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate.

Molecular Properties

Compound Name(1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate
PubChem CID102005654
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate
SMILESCCOC(=O)OCC(C)(OC(=O)OCC)c1ccccc1
InChIInChI=1S/C15H20O6/c1-4-18-13(16)20-11-15(3,21-14(17)19-5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyLQESGRMPYSXTNS-UHFFFAOYSA-N
XLogP3.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-ethoxyethoxy)-1-phenylethyl] ethyl carbonate
CID 118088572
2,2-dimethylpropyl ethyl carbonate;2,2-dimethylpropyl phenyl carbonate
CID 159920940
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
2-phenylpropan-2-yl carbamate;propane
CID 175117543
phenyl (2-phenyl-1-propan-2-yloxypropan-2-yl) carbonate
CID 118088605
(1-cyano-2,2,2-trifluoro-1-phenylethyl) ethyl carbonate
CID 121000603
ethyl 5-ethoxycarbonyloxy-5,5-diphenylpent-2-ynoate
CID 15533454
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016
benzyl (2-hydroxy-2-phenylpropyl) carbonate
CID 139815152
1,1-diphenylethyl carbamate
CID 20976713
ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
CID 105057990

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate?
The IUPAC name of (1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate (CID 102005654) is (1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate.
What is the SMILES notation for (1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate?
The canonical SMILES for (1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate is CCOC(=O)OCC(C)(OC(=O)OCC)c1ccccc1.
What is the InChIKey of (1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate?
The InChIKey is LQESGRMPYSXTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-4-18-13(16)20-11-15(3,21-14(17)19-5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3.
What are the key properties of (1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate?
(1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate has a molecular weight of 296.32 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycarbonyloxy-2-phenylpropan-2-yl) ethyl carbonate is sourced from PubChem (CID 102005654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).