(2S)-2-methyl-3-methylperoxypropan-1-ol

C5H12O3 — CID 88887750

IUPAC(2S)-2-methyl-3-methylperoxypropan-1-ol
SMILESCOOC[C@@H](C)CO
InChIInChI=1S/C5H12O3/c1-5(3-6)4-8-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyMUCOGJISEVHXMY-YFKPBYRVSA-N
MW120.15 g/mol
LogP0.19
Rot. Bonds4

About (2S)-2-methyl-3-methylperoxypropan-1-ol

(2S)-2-methyl-3-methylperoxypropan-1-ol (PubChem CID 88887750) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is (2S)-2-methyl-3-methylperoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-3-methylperoxypropan-1-ol
PubChem CID88887750
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Name(2S)-2-methyl-3-methylperoxypropan-1-ol
SMILESCOOC[C@@H](C)CO
InChIInChI=1S/C5H12O3/c1-5(3-6)4-8-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyMUCOGJISEVHXMY-YFKPBYRVSA-N
XLogP0.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.19
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

1,3-dimethoxy-2-methylpropane;3-methoxy-2-methylpropan-1-ol
CID 157414663
3-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropan-1-ol
CID 138569318
(3-hydroxy-2-methylpropoxy)boronic acid
CID 18764610
ethane;2-methylpropane-1,3-diol
CID 87127502
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
1-amino-2-methylperoxyethanol
CID 123254128
hydroxy-(3-hydroxy-2-methylpropoxy)-oxophosphanium
CID 122542023
2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol
CID 162612061
bis(3-hydroxy-2-methylpropyl) butanedioate
CID 58942758
6-methoxy-2-methylheptan-1-ol
CID 139725906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-methylperoxypropan-1-ol?
The IUPAC name of (2S)-2-methyl-3-methylperoxypropan-1-ol (CID 88887750) is (2S)-2-methyl-3-methylperoxypropan-1-ol.
What is the SMILES notation for (2S)-2-methyl-3-methylperoxypropan-1-ol?
The canonical SMILES for (2S)-2-methyl-3-methylperoxypropan-1-ol is COOC[C@@H](C)CO.
What is the InChIKey of (2S)-2-methyl-3-methylperoxypropan-1-ol?
The InChIKey is MUCOGJISEVHXMY-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12O3/c1-5(3-6)4-8-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-methyl-3-methylperoxypropan-1-ol?
(2S)-2-methyl-3-methylperoxypropan-1-ol has a molecular weight of 120.15 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-methylperoxypropan-1-ol is sourced from PubChem (CID 88887750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).