butan-2-yl butan-2-ylperoxycarbonyloxy carbonate

C10H18O7 — CID 171636508

IUPACbutan-2-yl butan-2-ylperoxycarbonyloxy carbonate
SMILESCCC(C)OOC(=O)OOC(=O)OC(C)CC
InChIInChI=1S/C10H18O7/c1-5-7(3)13-9(11)15-17-10(12)16-14-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyPAEAIXLKGXFQBA-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.74
Rot. Bonds5

About butan-2-yl butan-2-ylperoxycarbonyloxy carbonate

butan-2-yl butan-2-ylperoxycarbonyloxy carbonate (PubChem CID 171636508) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is butan-2-yl butan-2-ylperoxycarbonyloxy carbonate.

Molecular Properties

Compound Namebutan-2-yl butan-2-ylperoxycarbonyloxy carbonate
PubChem CID171636508
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Namebutan-2-yl butan-2-ylperoxycarbonyloxy carbonate
SMILESCCC(C)OOC(=O)OOC(=O)OC(C)CC
InChIInChI=1S/C10H18O7/c1-5-7(3)13-9(11)15-17-10(12)16-14-8(4)6-2/h7-8H,5-6H2,1-4H3
InChIKeyPAEAIXLKGXFQBA-UHFFFAOYSA-N
XLogP2.74
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
butan-2-yl butan-2-yloxycarbonyl carbonate
CID 11183557
butan-2-yl butan-2-yloxycarbonyloxy carbonate;2-ethylhexoxycarbonyloxy 2-ethylhexyl carbonate
CID 122553511
dibutan-2-yl hexanediperoxoate
CID 137374497
dibutan-2-yl 2,4-dimethylpentanedioate
CID 588548
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
1-O-[(2R)-butan-2-yl] 4-O-[(2S)-butan-2-yl] butanedioate
CID 92854984
[(2S)-butan-2-yl] cyclopropyl carbonate
CID 173085472
butan-2-yl 2-butan-2-yloxycarbonyloxy-2-methylpropanoate
CID 166505189
bis(butan-2-yl 3-oxobutaneperoxoate);titanium
CID 159822417
[(2R)-butan-2-yl] pentyl carbonate
CID 87213019

Frequently Asked Questions

What is the IUPAC name of butan-2-yl butan-2-ylperoxycarbonyloxy carbonate?
The IUPAC name of butan-2-yl butan-2-ylperoxycarbonyloxy carbonate (CID 171636508) is butan-2-yl butan-2-ylperoxycarbonyloxy carbonate.
What is the SMILES notation for butan-2-yl butan-2-ylperoxycarbonyloxy carbonate?
The canonical SMILES for butan-2-yl butan-2-ylperoxycarbonyloxy carbonate is CCC(C)OOC(=O)OOC(=O)OC(C)CC.
What is the InChIKey of butan-2-yl butan-2-ylperoxycarbonyloxy carbonate?
The InChIKey is PAEAIXLKGXFQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7/c1-5-7(3)13-9(11)15-17-10(12)16-14-8(4)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of butan-2-yl butan-2-ylperoxycarbonyloxy carbonate?
butan-2-yl butan-2-ylperoxycarbonyloxy carbonate has a molecular weight of 250.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl butan-2-ylperoxycarbonyloxy carbonate is sourced from PubChem (CID 171636508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).