octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate

C18H34O8 — CID 91552183

IUPACoctan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate
SMILESCCCCCC(CC)OC(=O)OOOOC(=O)OC(CC)CCCCC
InChIInChI=1S/C18H34O8/c1-5-9-11-13-15(7-3)21-17(19)23-25-26-24-18(20)22-16(8-4)14-12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyCWBSGYXWNMTVMG-UHFFFAOYSA-N
MW378.46 g/mol
LogP5.79
Rot. Bonds15

About octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate

octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate (PubChem CID 91552183) has the molecular formula C18H34O8 and a molecular weight of 378.46 g/mol. Its IUPAC name is octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate.

Molecular Properties

Compound Nameoctan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate
PubChem CID91552183
Molecular FormulaC18H34O8
Molecular Weight378.46 g/mol
Exact Mass378.23
IUPAC Nameoctan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate
SMILESCCCCCC(CC)OC(=O)OOOOC(=O)OC(CC)CCCCC
InChIInChI=1S/C18H34O8/c1-5-9-11-13-15(7-3)21-17(19)23-25-26-24-18(20)22-16(8-4)14-12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyCWBSGYXWNMTVMG-UHFFFAOYSA-N
XLogP5.79
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

diheptan-3-yl carbonate
CID 87131933
[(3S)-nonan-3-yl] acetate
CID 76967958
dioctan-3-yl butanedioate
CID 22101652
henicosan-3-yl hydrogen carbonate
CID 87300438
octan-3-yl octanoate
CID 22035452
undecan-3-yl nonanoate
CID 140749833
nonan-3-yl 2-methylpropanoate
CID 141408471
tetradecan-3-yl butanoate
CID 551228
tetradecan-3-yl heptanoate
CID 146681550
dodecan-3-yl pentadecanoate
CID 54131907
octan-3-yl tetracosanoate
CID 87222171
pentadecan-3-yl 2-bromoacetate
CID 536337

Frequently Asked Questions

What is the IUPAC name of octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate?
The IUPAC name of octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate (CID 91552183) is octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate.
What is the SMILES notation for octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate?
The canonical SMILES for octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate is CCCCCC(CC)OC(=O)OOOOC(=O)OC(CC)CCCCC.
What is the InChIKey of octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate?
The InChIKey is CWBSGYXWNMTVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O8/c1-5-9-11-13-15(7-3)21-17(19)23-25-26-24-18(20)22-16(8-4)14-12-10-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate?
octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate has a molecular weight of 378.46 g/mol, XLogP of 5.79, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for octan-3-yl octan-3-yloxycarbonyloxyperoxy carbonate is sourced from PubChem (CID 91552183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).