tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate

C18H30O6 — CID 23066168

IUPACtert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
SMILESCC(C)(C)OC(=O)OC1CCC(OC(=O)OC2CCCCC2)CC1
InChIInChI=1S/C18H30O6/c1-18(2,3)24-17(20)23-15-11-9-14(10-12-15)22-16(19)21-13-7-5-4-6-8-13/h13-15H,4-12H2,1-3H3
InChIKeyPIVLJHIXZLPINQ-UHFFFAOYSA-N
MW342.43 g/mol
LogP4.74
Rot. Bonds3

About tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate

tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate (PubChem CID 23066168) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate.

Molecular Properties

Compound Nametert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
PubChem CID23066168
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Nametert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
SMILESCC(C)(C)OC(=O)OC1CCC(OC(=O)OC2CCCCC2)CC1
InChIInChI=1S/C18H30O6/c1-18(2,3)24-17(20)23-15-11-9-14(10-12-15)22-16(19)21-13-7-5-4-6-8-13/h13-15H,4-12H2,1-3H3
InChIKeyPIVLJHIXZLPINQ-UHFFFAOYSA-N
XLogP4.74
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dicyclononyl carbonate
CID 139618210
2-chloropropan-2-yl cyclohexyl carbonate
CID 163283556
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate
CID 23066882
(1-chloro-1-iodoethyl) cyclohexyl carbonate
CID 69058507
tert-butyl piperidin-4-yl carbonate
CID 22078382
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
2-O-tert-butyl 1-O-cyclohexyl cyclohexane-1,2-dicarboxylate
CID 54540024
3-O-tert-butyl 1-O-cyclohexyl 2-aminopropanedioate
CID 174598991
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate
CID 139789040

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate?
The IUPAC name of tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate (CID 23066168) is tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate.
What is the SMILES notation for tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate?
The canonical SMILES for tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate is CC(C)(C)OC(=O)OC1CCC(OC(=O)OC2CCCCC2)CC1.
What is the InChIKey of tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate?
The InChIKey is PIVLJHIXZLPINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-18(2,3)24-17(20)23-15-11-9-14(10-12-15)22-16(19)21-13-7-5-4-6-8-13/h13-15H,4-12H2,1-3H3.
What are the key properties of tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate?
tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate has a molecular weight of 342.43 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate is sourced from PubChem (CID 23066168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).