(3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate

C14H26O11 — CID 87065811

IUPAC(3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate
SMILESCOC(C)(C)CCOOOC(=O)OC(=O)OOOCCC(C)(C)OC
InChIInChI=1S/C14H26O11/c1-13(2,17-5)7-9-19-24-22-11(15)21-12(16)23-25-20-10-8-14(3,4)18-6/h7-10H2,1-6H3
InChIKeyTUGAMVVIFZLKTI-UHFFFAOYSA-N
MW370.35 g/mol
LogP2.63
Rot. Bonds12

About (3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate

(3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate (PubChem CID 87065811) has the molecular formula C14H26O11 and a molecular weight of 370.35 g/mol. Its IUPAC name is (3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate
PubChem CID87065811
Molecular FormulaC14H26O11
Molecular Weight370.35 g/mol
Exact Mass370.15
IUPAC Name(3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate
SMILESCOC(C)(C)CCOOOC(=O)OC(=O)OOOCCC(C)(C)OC
InChIInChI=1S/C14H26O11/c1-13(2,17-5)7-9-19-24-22-11(15)21-12(16)23-25-20-10-8-14(3,4)18-6/h7-10H2,1-6H3
InChIKeyTUGAMVVIFZLKTI-UHFFFAOYSA-N
XLogP2.63
TPSA117.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 (3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate?
The IUPAC name of (3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate (CID 87065811) is (3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate.
What is the SMILES notation for (3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate?
The canonical SMILES for (3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate is COC(C)(C)CCOOOC(=O)OC(=O)OOOCCC(C)(C)OC.
What is the InChIKey of (3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate?
The InChIKey is TUGAMVVIFZLKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O11/c1-13(2,17-5)7-9-19-24-22-11(15)21-12(16)23-25-20-10-8-14(3,4)18-6/h7-10H2,1-6H3.
What are the key properties of (3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate?
(3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate has a molecular weight of 370.35 g/mol, XLogP of 2.63, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutoxy)peroxycarbonyl (3-methoxy-3-methylbutyl)peroxy carbonate is sourced from PubChem (CID 87065811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).