2-hydroperoxypropan-1-ol;2-methylprop-1-ene

C7H16O3 — CID 87689130

IUPAC2-hydroperoxypropan-1-ol;2-methylprop-1-ene
SMILESC=C(C)C.CC(CO)OO
InChIInChI=1S/C4H8.C3H8O3/c1-4(2)3;1-3(2-4)6-5/h1H2,2-3H3;3-5H,2H2,1H3
InChIKeyHECLZECTPLNOQZ-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.44
Rot. Bonds2

About 2-hydroperoxypropan-1-ol;2-methylprop-1-ene

2-hydroperoxypropan-1-ol;2-methylprop-1-ene (PubChem CID 87689130) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-hydroperoxypropan-1-ol;2-methylprop-1-ene.

Molecular Properties

Compound Name2-hydroperoxypropan-1-ol;2-methylprop-1-ene
PubChem CID87689130
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-hydroperoxypropan-1-ol;2-methylprop-1-ene
SMILESC=C(C)C.CC(CO)OO
InChIInChI=1S/C4H8.C3H8O3/c1-4(2)3;1-3(2-4)6-5/h1H2,2-3H3;3-5H,2H2,1H3
InChIKeyHECLZECTPLNOQZ-UHFFFAOYSA-N
XLogP1.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 2-hydroperoxypropan-1-ol;2-methylprop-1-ene?
The IUPAC name of 2-hydroperoxypropan-1-ol;2-methylprop-1-ene (CID 87689130) is 2-hydroperoxypropan-1-ol;2-methylprop-1-ene.
What is the SMILES notation for 2-hydroperoxypropan-1-ol;2-methylprop-1-ene?
The canonical SMILES for 2-hydroperoxypropan-1-ol;2-methylprop-1-ene is C=C(C)C.CC(CO)OO.
What is the InChIKey of 2-hydroperoxypropan-1-ol;2-methylprop-1-ene?
The InChIKey is HECLZECTPLNOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H8O3/c1-4(2)3;1-3(2-4)6-5/h1H2,2-3H3;3-5H,2H2,1H3.
What are the key properties of 2-hydroperoxypropan-1-ol;2-methylprop-1-ene?
2-hydroperoxypropan-1-ol;2-methylprop-1-ene has a molecular weight of 148.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxypropan-1-ol;2-methylprop-1-ene is sourced from PubChem (CID 87689130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).