(4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate

C22H38O8 — CID 54323330

IUPAC(4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate
SMILESCC(C)(C)C1CCC(OC(=O)OOOOC(=O)OC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H38O8/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-29-30-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3
InChIKeySTEKLRLQGZCGKC-UHFFFAOYSA-N
MW430.54 g/mol
LogP6.28
Rot. Bonds5

About (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate

(4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate (PubChem CID 54323330) has the molecular formula C22H38O8 and a molecular weight of 430.54 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate
PubChem CID54323330
Molecular FormulaC22H38O8
Molecular Weight430.54 g/mol
Exact Mass430.26
IUPAC Name(4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate
SMILESCC(C)(C)C1CCC(OC(=O)OOOOC(=O)OC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C22H38O8/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-29-30-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3
InChIKeySTEKLRLQGZCGKC-UHFFFAOYSA-N
XLogP6.28
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(4-tert-butylcyclohexyl) peroxydicarbonate
CID 84964
Di-(2-t-butylcyclohexyl) carbonate
CID 67046303
Bis(4-tert-butylcyclohexyl) diperoxycarbonate
CID 13571815
(-)-Dimenthyl peroxydicarbonate
CID 129826530
Ethyl [4-(4-propylcyclohexyl)cyclohexyl] carbonate
CID 13981276
Butyl [4-(4-propylcyclohexyl)cyclohexyl] carbonate
CID 13981278
Bis[(4-tert-butylcyclohexyl)peroxy] carbonate
CID 18972206
(4-Tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyl carbonate
CID 18974230
(4-Tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxy carbonate
CID 19834337
1-Tert-butyl-4-(4-tert-butylcyclohexyl)peroxycyclohexane;carbonic acid
CID 20142961
(4-Tert-butylcyclohexyl) hydroxy carbonate
CID 20238206
(4-Tert-butylcyclohexyl) tert-butylperoxy carbonate
CID 20303226

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate?
The IUPAC name of (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate (CID 54323330) is (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate.
What is the SMILES notation for (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate?
The canonical SMILES for (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate is CC(C)(C)C1CCC(OC(=O)OOOOC(=O)OC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate?
The InChIKey is STEKLRLQGZCGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O8/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-29-30-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3.
What are the key properties of (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate?
(4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate has a molecular weight of 430.54 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxyperoxy carbonate is sourced from PubChem (CID 54323330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).