hydroperoxymethane;methoxymethylbenzene;propane

C12H22O3 — CID 91284821

IUPAChydroperoxymethane;methoxymethylbenzene;propane
SMILESCCC.COCc1ccccc1.COO
InChIInChI=1S/C8H10O.C3H8.CH4O2/c1-9-7-8-5-3-2-4-6-8;2*1-3-2/h2-6H,7H2,1H3;3H2,1-2H3;2H,1H3
InChIKeyXNFJUIHFPDKGKZ-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.36
Rot. Bonds2

About hydroperoxymethane;methoxymethylbenzene;propane

hydroperoxymethane;methoxymethylbenzene;propane (PubChem CID 91284821) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is hydroperoxymethane;methoxymethylbenzene;propane.

Molecular Properties

Compound Namehydroperoxymethane;methoxymethylbenzene;propane
PubChem CID91284821
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namehydroperoxymethane;methoxymethylbenzene;propane
SMILESCCC.COCc1ccccc1.COO
InChIInChI=1S/C8H10O.C3H8.CH4O2/c1-9-7-8-5-3-2-4-6-8;2*1-3-2/h2-6H,7H2,1H3;3H2,1-2H3;2H,1H3
InChIKeyXNFJUIHFPDKGKZ-UHFFFAOYSA-N
XLogP3.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.36
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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Related Compounds

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CID 167578330
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CID 14906855
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Frequently Asked Questions

What is the IUPAC name of hydroperoxymethane;methoxymethylbenzene;propane?
The IUPAC name of hydroperoxymethane;methoxymethylbenzene;propane (CID 91284821) is hydroperoxymethane;methoxymethylbenzene;propane.
What is the SMILES notation for hydroperoxymethane;methoxymethylbenzene;propane?
The canonical SMILES for hydroperoxymethane;methoxymethylbenzene;propane is CCC.COCc1ccccc1.COO.
What is the InChIKey of hydroperoxymethane;methoxymethylbenzene;propane?
The InChIKey is XNFJUIHFPDKGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C3H8.CH4O2/c1-9-7-8-5-3-2-4-6-8;2*1-3-2/h2-6H,7H2,1H3;3H2,1-2H3;2H,1H3.
What are the key properties of hydroperoxymethane;methoxymethylbenzene;propane?
hydroperoxymethane;methoxymethylbenzene;propane has a molecular weight of 214.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethane;methoxymethylbenzene;propane is sourced from PubChem (CID 91284821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).