cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate

C15H24O6 — CID 23066096

IUPACcyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
SMILESCOC(=O)OC1CCC(OC(=O)OC2CCCCC2)CC1
InChIInChI=1S/C15H24O6/c1-18-14(16)19-12-7-9-13(10-8-12)21-15(17)20-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3
InChIKeyQCMSXMXIFIJBQG-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.57
Rot. Bonds3

About cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate

cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate (PubChem CID 23066096) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate.

Molecular Properties

Compound Namecyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
PubChem CID23066096
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namecyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
SMILESCOC(=O)OC1CCC(OC(=O)OC2CCCCC2)CC1
InChIInChI=1S/C15H24O6/c1-18-14(16)19-12-7-9-13(10-8-12)21-15(17)20-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3
InChIKeyQCMSXMXIFIJBQG-UHFFFAOYSA-N
XLogP3.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dicyclononyl carbonate
CID 139618210
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
CID 23066168
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
cyclohexyl iodo carbonate
CID 139427010
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
cycloheptadecyl acetate
CID 57215828
methyl [(3Z)-3-methylcyclooct-3-en-1-yl] carbonate
CID 23092740
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexanamine;cyclohexanol;cyclohexyl methyl carbonate;dimethyl carbonate;methyl N-cyclohexylcarbamate
CID 157450716
cyclohexyl acetate;dihydrochloride
CID 140971070
azane;cyclohexyl acetate
CID 174554221

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate?
The IUPAC name of cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate (CID 23066096) is cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate.
What is the SMILES notation for cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate?
The canonical SMILES for cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate is COC(=O)OC1CCC(OC(=O)OC2CCCCC2)CC1.
What is the InChIKey of cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate?
The InChIKey is QCMSXMXIFIJBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-18-14(16)19-12-7-9-13(10-8-12)21-15(17)20-11-5-3-2-4-6-11/h11-13H,2-10H2,1H3.
What are the key properties of cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate?
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate has a molecular weight of 300.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate is sourced from PubChem (CID 23066096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).