1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol

C6H12O4 — CID 58843837

IUPAC1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol
SMILESCOOCC(C)=C(O)OC
InChIInChI=1S/C6H12O4/c1-5(4-10-9-3)6(7)8-2/h7H,4H2,1-3H3
InChIKeyVUIHPKZHLSFNBQ-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.00
Rot. Bonds4

About 1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol

1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol (PubChem CID 58843837) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol
PubChem CID58843837
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol
SMILESCOOCC(C)=C(O)OC
InChIInChI=1S/C6H12O4/c1-5(4-10-9-3)6(7)8-2/h7H,4H2,1-3H3
InChIKeyVUIHPKZHLSFNBQ-UHFFFAOYSA-N
XLogP1.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(Z)-N,2-dimethyl-3-methylperoxyprop-1-en-1-amine
CID 59592039
(3Z,5E)-5-ethyl-N,6-dimethyl-7-methylperoxyhepta-1,3,5-trien-2-amine
CID 155183684
methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide
CID 58555140
methyl 3-hydroxy-3-methoxy-2-methylprop-2-enoate
CID 15971438
2-dimethoxyphosphoryl-3-methylperoxyprop-1-ene
CID 87769381
4-methylperoxybutan-2-one
CID 20686661
methyl hydrogen carbonate;propan-2-one
CID 157174234
3-methoxycarbonyl-4-methylpent-3-enoic acid
CID 10977723
4-fluoro-5-methoxy-3-methyl-5-oxopent-3-enoic acid
CID 90022947
ethane;(Z)-2-methoxy-3-methylpent-2-ene
CID 144825663
ethane;methane;1-methoxyethylidenetungsten;2-methylpropane;bis(propan-2-ylidenetungsten)
CID 161251466
1-aminooxy-3-methylbut-2-en-2-ol
CID 23286428

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol?
The IUPAC name of 1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol (CID 58843837) is 1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol.
What is the SMILES notation for 1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol?
The canonical SMILES for 1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol is COOCC(C)=C(O)OC.
What is the InChIKey of 1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol?
The InChIKey is VUIHPKZHLSFNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-5(4-10-9-3)6(7)8-2/h7H,4H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol?
1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol has a molecular weight of 148.16 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol is sourced from PubChem (CID 58843837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).