3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene

C6H12O4 — CID 20762301

IUPAC3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene
SMILESC=C(COCOCC)OO
InChIInChI=1S/C6H12O4/c1-3-8-5-9-4-6(2)10-7/h7H,2-5H2,1H3
InChIKeyHQXXBDHYZURHCM-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.00
Rot. Bonds6

About 3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene

3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene (PubChem CID 20762301) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene.

Molecular Properties

Compound Name3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene
PubChem CID20762301
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene
SMILESC=C(COCOCC)OO
InChIInChI=1S/C6H12O4/c1-3-8-5-9-4-6(2)10-7/h7H,2-5H2,1H3
InChIKeyHQXXBDHYZURHCM-UHFFFAOYSA-N
XLogP1.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene?
The IUPAC name of 3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene (CID 20762301) is 3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene.
What is the SMILES notation for 3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene?
The canonical SMILES for 3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene is C=C(COCOCC)OO.
What is the InChIKey of 3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene?
The InChIKey is HQXXBDHYZURHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-3-8-5-9-4-6(2)10-7/h7H,2-5H2,1H3.
What are the key properties of 3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene?
3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene has a molecular weight of 148.16 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethoxy)-2-hydroperoxyprop-1-ene is sourced from PubChem (CID 20762301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).