bis(1-butylperoxyprop-2-enyl) carbonate

C15H26O7 — CID 87756417

IUPACbis(1-butylperoxyprop-2-enyl) carbonate
SMILESC=CC(OOCCCC)OC(=O)OC(C=C)OOCCCC
InChIInChI=1S/C15H26O7/c1-5-9-11-17-21-13(7-3)19-15(16)20-14(8-4)22-18-12-10-6-2/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyGFIMTBWVDMTSDP-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.66
Rot. Bonds14

About bis(1-butylperoxyprop-2-enyl) carbonate

bis(1-butylperoxyprop-2-enyl) carbonate (PubChem CID 87756417) has the molecular formula C15H26O7 and a molecular weight of 318.37 g/mol. Its IUPAC name is bis(1-butylperoxyprop-2-enyl) carbonate.

Molecular Properties

Compound Namebis(1-butylperoxyprop-2-enyl) carbonate
PubChem CID87756417
Molecular FormulaC15H26O7
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Namebis(1-butylperoxyprop-2-enyl) carbonate
SMILESC=CC(OOCCCC)OC(=O)OC(C=C)OOCCCC
InChIInChI=1S/C15H26O7/c1-5-9-11-17-21-13(7-3)19-15(16)20-14(8-4)22-18-12-10-6-2/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyGFIMTBWVDMTSDP-UHFFFAOYSA-N
XLogP3.66
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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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Related Compounds

bis(butylperoxy) carbonate
CID 87894849
CID 58473322
CID 58473322
2-butylperoxy-3-methylidenebutanedioic acid
CID 19387422
2-butylperoxypropane-1,3-diol
CID 87926197
2-butoxycarbonylbut-3-enoic acid
CID 150960339
1-butylperoxybutane;hydrogen peroxide
CID 162033267
1-butylperoxy-2-methylpropan-1-ol
CID 87410988
1-butylperoxybutane
CID 159275797
decyl prop-2-eneperoxoate
CID 151851991
2-butoxybut-3-enyl 2-methylprop-2-enoate
CID 102248308
butoxyperoxycarbonyl butylperoxy carbonate
CID 87090676
buta-1,3-diene;butyl hydrogen carbonate
CID 87173183

Frequently Asked Questions

What is the IUPAC name of bis(1-butylperoxyprop-2-enyl) carbonate?
The IUPAC name of bis(1-butylperoxyprop-2-enyl) carbonate (CID 87756417) is bis(1-butylperoxyprop-2-enyl) carbonate.
What is the SMILES notation for bis(1-butylperoxyprop-2-enyl) carbonate?
The canonical SMILES for bis(1-butylperoxyprop-2-enyl) carbonate is C=CC(OOCCCC)OC(=O)OC(C=C)OOCCCC.
What is the InChIKey of bis(1-butylperoxyprop-2-enyl) carbonate?
The InChIKey is GFIMTBWVDMTSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O7/c1-5-9-11-17-21-13(7-3)19-15(16)20-14(8-4)22-18-12-10-6-2/h7-8,13-14H,3-6,9-12H2,1-2H3.
What are the key properties of bis(1-butylperoxyprop-2-enyl) carbonate?
bis(1-butylperoxyprop-2-enyl) carbonate has a molecular weight of 318.37 g/mol, XLogP of 3.66, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-butylperoxyprop-2-enyl) carbonate is sourced from PubChem (CID 87756417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).