tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate

C20H36O6 — CID 23066473

IUPACtert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate
SMILESCCCCC(CC)COC(=O)OC1CCCCC1OC(=O)OC(C)(C)C
InChIInChI=1S/C20H36O6/c1-6-8-11-15(7-2)14-23-18(21)24-16-12-9-10-13-17(16)25-19(22)26-20(3,4)5/h15-17H,6-14H2,1-5H3
InChIKeyDJTXHMFOXTVSMN-UHFFFAOYSA-N
MW372.50 g/mol
LogP5.62
Rot. Bonds8

About tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate

tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate (PubChem CID 23066473) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate.

Molecular Properties

Compound Nametert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate
PubChem CID23066473
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Nametert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate
SMILESCCCCC(CC)COC(=O)OC1CCCCC1OC(=O)OC(C)(C)C
InChIInChI=1S/C20H36O6/c1-6-8-11-15(7-2)14-23-18(21)24-16-12-9-10-13-17(16)25-19(22)26-20(3,4)5/h15-17H,6-14H2,1-5H3
InChIKeyDJTXHMFOXTVSMN-UHFFFAOYSA-N
XLogP5.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethylhexoxycarbonyloxy)cyclohexyl] 10-methylundecyl carbonate
CID 23066838
tert-butyl 2-(2-ethylhexoxy)propanoate
CID 66337367
[2-(4-methylpentoxycarbonyloxy)cyclohexyl] 2-propylheptyl carbonate
CID 23066831
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
2-ethylhexyl 3-cyclopentylpropanoate
CID 543877
ethyl 2-ethylhexyl carbonate
CID 54194012
bis(2-ethylhexyl) carbonate;2,2-dimethylbutane-1,1-diol
CID 160953382
[(2S)-2-ethylhexyl] 2-methylbutan-2-yloxy carbonate
CID 98090545
6-O-tert-butyl 1-O-(2-ethylhexyl) (2E,4E)-2,5-dimethylhexa-2,4-dienedioate
CID 139812340
tert-butyl 3-(2-ethylhexoxy)-4-iodopyrrolidine-1-carboxylate
CID 104969638
2-(2-ethylhexoxy)cyclohexan-1-amine
CID 43127678
2-ethylpentyl 2-methylbutan-2-yl carbonate
CID 139479516

Frequently Asked Questions

What is the IUPAC name of tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate?
The IUPAC name of tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate (CID 23066473) is tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate.
What is the SMILES notation for tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate?
The canonical SMILES for tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate is CCCCC(CC)COC(=O)OC1CCCCC1OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate?
The InChIKey is DJTXHMFOXTVSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O6/c1-6-8-11-15(7-2)14-23-18(21)24-16-12-9-10-13-17(16)25-19(22)26-20(3,4)5/h15-17H,6-14H2,1-5H3.
What are the key properties of tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate?
tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate has a molecular weight of 372.50 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [2-(2-ethylhexoxycarbonyloxy)cyclohexyl] carbonate is sourced from PubChem (CID 23066473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).