(5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate

C15H26O5 — CID 20514183

IUPAC(5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate
SMILESC=C(C)COC(=O)OOOC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H26O5/c1-10(2)9-17-15(16)19-20-18-14-8-12(5)6-7-13(14)11(3)4/h11-14H,1,6-9H2,2-5H3
InChIKeyRDXBOWSCLRWPIC-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.04
Rot. Bonds6

About (5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate

(5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate (PubChem CID 20514183) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate
PubChem CID20514183
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate
SMILESC=C(C)COC(=O)OOOC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H26O5/c1-10(2)9-17-15(16)19-20-18-14-8-12(5)6-7-13(14)11(3)4/h11-14H,1,6-9H2,2-5H3
InChIKeyRDXBOWSCLRWPIC-UHFFFAOYSA-N
XLogP4.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 (5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate (CID 20514183) is (5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate is C=C(C)COC(=O)OOOC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate?
The InChIKey is RDXBOWSCLRWPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-10(2)9-17-15(16)19-20-18-14-8-12(5)6-7-13(14)11(3)4/h11-14H,1,6-9H2,2-5H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate?
(5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate has a molecular weight of 286.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl)peroxy 2-methylprop-2-enyl carbonate is sourced from PubChem (CID 20514183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).