3-propylperoxypropane-1,2-diol

C6H14O4 — CID 87234101

IUPAC3-propylperoxypropane-1,2-diol
SMILESCCCOOCC(O)CO
InChIInChI=1S/C6H14O4/c1-2-3-9-10-5-6(8)4-7/h6-8H,2-5H2,1H3
InChIKeyYSIFYXVKEAXATO-UHFFFAOYSA-N
MW150.17 g/mol
LogP-0.30
Rot. Bonds6

About 3-propylperoxypropane-1,2-diol

3-propylperoxypropane-1,2-diol (PubChem CID 87234101) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-propylperoxypropane-1,2-diol.

Molecular Properties

Compound Name3-propylperoxypropane-1,2-diol
PubChem CID87234101
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name3-propylperoxypropane-1,2-diol
SMILESCCCOOCC(O)CO
InChIInChI=1S/C6H14O4/c1-2-3-9-10-5-6(8)4-7/h6-8H,2-5H2,1H3
InChIKeyYSIFYXVKEAXATO-UHFFFAOYSA-N
XLogP-0.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-hexadecylperoxypropane-1,2-diol
CID 57090366
3-[4-(2,3-dihydroxypropylperoxy)butylperoxy]propane-1,2-diol
CID 174669486
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204

Frequently Asked Questions

What is the IUPAC name of 3-propylperoxypropane-1,2-diol?
The IUPAC name of 3-propylperoxypropane-1,2-diol (CID 87234101) is 3-propylperoxypropane-1,2-diol.
What is the SMILES notation for 3-propylperoxypropane-1,2-diol?
The canonical SMILES for 3-propylperoxypropane-1,2-diol is CCCOOCC(O)CO.
What is the InChIKey of 3-propylperoxypropane-1,2-diol?
The InChIKey is YSIFYXVKEAXATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c1-2-3-9-10-5-6(8)4-7/h6-8H,2-5H2,1H3.
What are the key properties of 3-propylperoxypropane-1,2-diol?
3-propylperoxypropane-1,2-diol has a molecular weight of 150.17 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylperoxypropane-1,2-diol is sourced from PubChem (CID 87234101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).