butoxyperoxycarbonyl butylperoxy carbonate

C10H18O9 — CID 87090676

IUPACbutoxyperoxycarbonyl butylperoxy carbonate
SMILESCCCCOOOC(=O)OC(=O)OOOCCCC
InChIInChI=1S/C10H18O9/c1-3-5-7-13-18-16-9(11)15-10(12)17-19-14-8-6-4-2/h3-8H2,1-2H3
InChIKeyYFSQILNRXRZPOS-UHFFFAOYSA-N
MW282.24 g/mol
LogP2.60
Rot. Bonds10

About butoxyperoxycarbonyl butylperoxy carbonate

butoxyperoxycarbonyl butylperoxy carbonate (PubChem CID 87090676) has the molecular formula C10H18O9 and a molecular weight of 282.24 g/mol. Its IUPAC name is butoxyperoxycarbonyl butylperoxy carbonate.

Molecular Properties

Compound Namebutoxyperoxycarbonyl butylperoxy carbonate
PubChem CID87090676
Molecular FormulaC10H18O9
Molecular Weight282.24 g/mol
Exact Mass282.10
IUPAC Namebutoxyperoxycarbonyl butylperoxy carbonate
SMILESCCCCOOOC(=O)OC(=O)OOOCCCC
InChIInChI=1S/C10H18O9/c1-3-5-7-13-18-16-9(11)15-10(12)17-19-14-8-6-4-2/h3-8H2,1-2H3
InChIKeyYFSQILNRXRZPOS-UHFFFAOYSA-N
XLogP2.60
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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Related Compounds

bis(butylperoxy) carbonate
CID 87894849
hydroxy octylperoxy carbonate
CID 140560938
1,1-dibutoxyethoxyperoxycarbonyl 1,1-dibutoxyethylperoxy carbonate
CID 88666775
bis(butoxycarbonyl) carbonate
CID 87650057
butoxy 4,4-dimethylpentaneperoxoate
CID 87448665
dibutyl butanediperoxoate
CID 154146674
carboxy 6,6-diethoxyhexylperoxy carbonate
CID 154199537
1-butylperoxybutane;hydrogen peroxide
CID 162033267
octoxyperoxy hydrogen carbonate
CID 23448449
tetrakis(barium(2+));bis(butoxycarbonyl) carbonate;hydride
CID 174616136
1-butylperoxybutane
CID 159275797
1-butoxyperoxynonane
CID 90110144

Frequently Asked Questions

What is the IUPAC name of butoxyperoxycarbonyl butylperoxy carbonate?
The IUPAC name of butoxyperoxycarbonyl butylperoxy carbonate (CID 87090676) is butoxyperoxycarbonyl butylperoxy carbonate.
What is the SMILES notation for butoxyperoxycarbonyl butylperoxy carbonate?
The canonical SMILES for butoxyperoxycarbonyl butylperoxy carbonate is CCCCOOOC(=O)OC(=O)OOOCCCC.
What is the InChIKey of butoxyperoxycarbonyl butylperoxy carbonate?
The InChIKey is YFSQILNRXRZPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O9/c1-3-5-7-13-18-16-9(11)15-10(12)17-19-14-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of butoxyperoxycarbonyl butylperoxy carbonate?
butoxyperoxycarbonyl butylperoxy carbonate has a molecular weight of 282.24 g/mol, XLogP of 2.60, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butoxyperoxycarbonyl butylperoxy carbonate is sourced from PubChem (CID 87090676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).