14a-hydroperoxycyclododeca[b]pyran

C15H14O3 — CID 54273886

IUPAC14a-hydroperoxycyclododeca[b]pyran
SMILESOOC12C=CC=CC=CC=CC=CC1=CC=CO2
InChIInChI=1S/C15H14O3/c16-18-15-12-8-6-4-2-1-3-5-7-10-14(15)11-9-13-17-15/h1-13,16H
InChIKeyRMAYWVVXZUQCFI-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.44
Rot. Bonds1

About 14a-hydroperoxycyclododeca[b]pyran

14a-hydroperoxycyclododeca[b]pyran (PubChem CID 54273886) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 14a-hydroperoxycyclododeca[b]pyran.

Molecular Properties

Compound Name14a-hydroperoxycyclododeca[b]pyran
PubChem CID54273886
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name14a-hydroperoxycyclododeca[b]pyran
SMILESOOC12C=CC=CC=CC=CC=CC1=CC=CO2
InChIInChI=1S/C15H14O3/c16-18-15-12-8-6-4-2-1-3-5-7-10-14(15)11-9-13-17-15/h1-13,16H
InChIKeyRMAYWVVXZUQCFI-UHFFFAOYSA-N
XLogP3.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14a-hydroperoxycyclododeca[b]pyran?
The IUPAC name of 14a-hydroperoxycyclododeca[b]pyran (CID 54273886) is 14a-hydroperoxycyclododeca[b]pyran.
What is the SMILES notation for 14a-hydroperoxycyclododeca[b]pyran?
The canonical SMILES for 14a-hydroperoxycyclododeca[b]pyran is OOC12C=CC=CC=CC=CC=CC1=CC=CO2.
What is the InChIKey of 14a-hydroperoxycyclododeca[b]pyran?
The InChIKey is RMAYWVVXZUQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-18-15-12-8-6-4-2-1-3-5-7-10-14(15)11-9-13-17-15/h1-13,16H.
What are the key properties of 14a-hydroperoxycyclododeca[b]pyran?
14a-hydroperoxycyclododeca[b]pyran has a molecular weight of 242.27 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14a-hydroperoxycyclododeca[b]pyran is sourced from PubChem (CID 54273886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).