cyclodecyl cyclodecyloxycarbonyloxy carbonate

C22H38O6 — CID 139793916

IUPACcyclodecyl cyclodecyloxycarbonyloxy carbonate
SMILESO=C(OOC(=O)OC1CCCCCCCCC1)OC1CCCCCCCCC1
InChIInChI=1S/C22H38O6/c23-21(25-19-15-11-7-3-1-4-8-12-16-19)27-28-22(24)26-20-17-13-9-5-2-6-10-14-18-20/h19-20H,1-18H2
InChIKeyKFEKRJQXBIKGOD-UHFFFAOYSA-N
MW398.54 g/mol
LogP6.99
Rot. Bonds2

About cyclodecyl cyclodecyloxycarbonyloxy carbonate

cyclodecyl cyclodecyloxycarbonyloxy carbonate (PubChem CID 139793916) has the molecular formula C22H38O6 and a molecular weight of 398.54 g/mol. Its IUPAC name is cyclodecyl cyclodecyloxycarbonyloxy carbonate.

Molecular Properties

Compound Namecyclodecyl cyclodecyloxycarbonyloxy carbonate
PubChem CID139793916
Molecular FormulaC22H38O6
Molecular Weight398.54 g/mol
Exact Mass398.27
IUPAC Namecyclodecyl cyclodecyloxycarbonyloxy carbonate
SMILESO=C(OOC(=O)OC1CCCCCCCCC1)OC1CCCCCCCCC1
InChIInChI=1S/C22H38O6/c23-21(25-19-15-11-7-3-1-4-8-12-16-19)27-28-22(24)26-20-17-13-9-5-2-6-10-14-18-20/h19-20H,1-18H2
InChIKeyKFEKRJQXBIKGOD-UHFFFAOYSA-N
XLogP6.99
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 56.99
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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Related Compounds

dicyclononyl carbonate
CID 139618210
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
cyclohexyl iodo carbonate
CID 139427010
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl hydroxymethyl carbonate
CID 54112347
cycloheptyl hydrogen carbonate
CID 23179405
cycloheptyl iodomethyl carbonate
CID 86119288
cycloheptadecyl acetate
CID 57215828
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclohexyl dibromoarsanylformate
CID 87971743

Frequently Asked Questions

What is the IUPAC name of cyclodecyl cyclodecyloxycarbonyloxy carbonate?
The IUPAC name of cyclodecyl cyclodecyloxycarbonyloxy carbonate (CID 139793916) is cyclodecyl cyclodecyloxycarbonyloxy carbonate.
What is the SMILES notation for cyclodecyl cyclodecyloxycarbonyloxy carbonate?
The canonical SMILES for cyclodecyl cyclodecyloxycarbonyloxy carbonate is O=C(OOC(=O)OC1CCCCCCCCC1)OC1CCCCCCCCC1.
What is the InChIKey of cyclodecyl cyclodecyloxycarbonyloxy carbonate?
The InChIKey is KFEKRJQXBIKGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O6/c23-21(25-19-15-11-7-3-1-4-8-12-16-19)27-28-22(24)26-20-17-13-9-5-2-6-10-14-18-20/h19-20H,1-18H2.
What are the key properties of cyclodecyl cyclodecyloxycarbonyloxy carbonate?
cyclodecyl cyclodecyloxycarbonyloxy carbonate has a molecular weight of 398.54 g/mol, XLogP of 6.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecyl cyclodecyloxycarbonyloxy carbonate is sourced from PubChem (CID 139793916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).