2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol

C8H16O4 — CID 3086330

IUPAC2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol
SMILESC=CCOCC(CO)(CO)CO
InChIInChI=1S/C8H16O4/c1-2-3-12-7-8(4-9,5-10)6-11/h2,9-11H,1,3-7H2
InChIKeyRFIMISVNSAUMBU-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.85
Rot. Bonds7

About 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol

2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol (PubChem CID 3086330) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol
PubChem CID3086330
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol
SMILESC=CCOCC(CO)(CO)CO
InChIInChI=1S/C8H16O4/c1-2-3-12-7-8(4-9,5-10)6-11/h2,9-11H,1,3-7H2
InChIKeyRFIMISVNSAUMBU-UHFFFAOYSA-N
XLogP-0.85
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Trimethylolpropane diallyl ether
CID 61196
3-(Allyloxy)-2,2-bis((allyloxy)methyl)propanol
CID 73854
Trimethylolpropane monoallyl ether
CID 12683
3-(2-Propen-1-yloxy)-1-propanol
CID 165762
3,3'-((2,2-Bis((allyloxy)methyl)-1,3-propanediyl)bis(oxy))dipropene
CID 73855
Diallyl pentaerythritol
CID 13955027
Allyl ether pentaerythritol
CID 21951179
2-((Allyloxy)methyl)-2-methylpropane-1,3-diol
CID 11116339
2-(Fluoromethyl)-2-methyl-3-prop-2-enoxypropan-1-ol
CID 156033113
2-Methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propan-1-ol
CID 10074994
2,2-Dimethyl-3-[(prop-2-en-1-yl)oxy]propan-1-ol
CID 12663604
2-[[(E)-4-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]but-2-enoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 71606794

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol (CID 3086330) is 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol is C=CCOCC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol?
The InChIKey is RFIMISVNSAUMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-2-3-12-7-8(4-9,5-10)6-11/h2,9-11H,1,3-7H2.
What are the key properties of 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol?
2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol has a molecular weight of 176.21 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol is sourced from PubChem (CID 3086330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).