[4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate

C24H42O6 — CID 54507939

IUPAC[4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate
SMILESCCC(C)(C)C1CCC(OC(=O)OOC(=O)OC2CCC(C(C)(C)CC)CC2)CC1
InChIInChI=1S/C24H42O6/c1-7-23(3,4)17-9-13-19(14-10-17)27-21(25)29-30-22(26)28-20-15-11-18(12-16-20)24(5,6)8-2/h17-20H,7-16H2,1-6H3
InChIKeyYHAPSJZEGYIGOI-UHFFFAOYSA-N
MW426.59 g/mol
LogP7.20
Rot. Bonds6

About [4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate

[4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate (PubChem CID 54507939) has the molecular formula C24H42O6 and a molecular weight of 426.59 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate
PubChem CID54507939
Molecular FormulaC24H42O6
Molecular Weight426.59 g/mol
Exact Mass426.30
IUPAC Name[4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate
SMILESCCC(C)(C)C1CCC(OC(=O)OOC(=O)OC2CCC(C(C)(C)CC)CC2)CC1
InChIInChI=1S/C24H42O6/c1-7-23(3,4)17-9-13-19(14-10-17)27-21(25)29-30-22(26)28-20-15-11-18(12-16-20)24(5,6)8-2/h17-20H,7-16H2,1-6H3
InChIKeyYHAPSJZEGYIGOI-UHFFFAOYSA-N
XLogP7.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate?
The IUPAC name of [4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate (CID 54507939) is [4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate.
What is the SMILES notation for [4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate?
The canonical SMILES for [4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate is CCC(C)(C)C1CCC(OC(=O)OOC(=O)OC2CCC(C(C)(C)CC)CC2)CC1.
What is the InChIKey of [4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate?
The InChIKey is YHAPSJZEGYIGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O6/c1-7-23(3,4)17-9-13-19(14-10-17)27-21(25)29-30-22(26)28-20-15-11-18(12-16-20)24(5,6)8-2/h17-20H,7-16H2,1-6H3.
What are the key properties of [4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate?
[4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate has a molecular weight of 426.59 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)cyclohexyl] [4-(2-methylbutan-2-yl)cyclohexyl]oxycarbonyloxy carbonate is sourced from PubChem (CID 54507939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).