bis(3-methoxybutylperoxy) carbonate

C11H22O9 — CID 87435267

IUPACbis(3-methoxybutylperoxy) carbonate
SMILESCOC(C)CCOOOC(=O)OOOCCC(C)OC
InChIInChI=1S/C11H22O9/c1-9(13-3)5-7-15-19-17-11(12)18-20-16-8-6-10(2)14-4/h9-10H,5-8H2,1-4H3
InChIKeyKNUWAPLVHOTMHR-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.72
Rot. Bonds12

About bis(3-methoxybutylperoxy) carbonate

bis(3-methoxybutylperoxy) carbonate (PubChem CID 87435267) has the molecular formula C11H22O9 and a molecular weight of 298.29 g/mol. Its IUPAC name is bis(3-methoxybutylperoxy) carbonate.

Molecular Properties

Compound Namebis(3-methoxybutylperoxy) carbonate
PubChem CID87435267
Molecular FormulaC11H22O9
Molecular Weight298.29 g/mol
Exact Mass298.13
IUPAC Namebis(3-methoxybutylperoxy) carbonate
SMILESCOC(C)CCOOOC(=O)OOOCCC(C)OC
InChIInChI=1S/C11H22O9/c1-9(13-3)5-7-15-19-17-11(12)18-20-16-8-6-10(2)14-4/h9-10H,5-8H2,1-4H3
InChIKeyKNUWAPLVHOTMHR-UHFFFAOYSA-N
XLogP1.72
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

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Related Compounds

3-methoxybutoxycarbonyloxyperoxy 3-methoxybutyl carbonate
CID 91446158
3-methoxybutoxy 3-methoxybutyl carbonate
CID 22901749
3-methoxybutyl 4-propan-2-ylbenzenecarboperoxoate
CID 173266525
3-methoxybutyl 4-methylbenzenecarboperoxoate
CID 173267528
1-hydroperoxy-3-methoxybutane
CID 18475070
bis(butylperoxy) carbonate
CID 87894849
butyl 3-methoxybutyl carbonate
CID 87247600
[(3S)-3-methoxybutyl] propanoate
CID 102330926
3-methoxybutyl 2,6-dimethoxybenzenecarboperoxoate
CID 173267382
bis(3-methoxybutyl) pentanedioate
CID 91752160
bis(3-methoxybutyl) 2,2-dimethylpropanedioate
CID 101278725
[(3R)-3-methoxybutyl] 3-chloropropanoate
CID 129359861

Frequently Asked Questions

What is the IUPAC name of bis(3-methoxybutylperoxy) carbonate?
The IUPAC name of bis(3-methoxybutylperoxy) carbonate (CID 87435267) is bis(3-methoxybutylperoxy) carbonate.
What is the SMILES notation for bis(3-methoxybutylperoxy) carbonate?
The canonical SMILES for bis(3-methoxybutylperoxy) carbonate is COC(C)CCOOOC(=O)OOOCCC(C)OC.
What is the InChIKey of bis(3-methoxybutylperoxy) carbonate?
The InChIKey is KNUWAPLVHOTMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O9/c1-9(13-3)5-7-15-19-17-11(12)18-20-16-8-6-10(2)14-4/h9-10H,5-8H2,1-4H3.
What are the key properties of bis(3-methoxybutylperoxy) carbonate?
bis(3-methoxybutylperoxy) carbonate has a molecular weight of 298.29 g/mol, XLogP of 1.72, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methoxybutylperoxy) carbonate is sourced from PubChem (CID 87435267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).