3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol

C9H18O5 — CID 3023203

IUPAC3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol
SMILESC=CCOCCC(O)OCC(O)CO
InChIInChI=1S/C9H18O5/c1-2-4-13-5-3-9(12)14-7-8(11)6-10/h2,8-12H,1,3-7H2
InChIKeyYOAKRVNSFGYCEI-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.73
Rot. Bonds9

About 3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol

3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol (PubChem CID 3023203) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol
PubChem CID3023203
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol
SMILESC=CCOCCC(O)OCC(O)CO
InChIInChI=1S/C9H18O5/c1-2-4-13-5-3-9(12)14-7-8(11)6-10/h2,8-12H,1,3-7H2
InChIKeyYOAKRVNSFGYCEI-UHFFFAOYSA-N
XLogP-0.73
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxolane-4-methanol, 2-ethenyl-, cis-
CID 545210
[(2S,4S)-2-ethenyl-1,3-dioxolan-4-yl]methanol
CID 21116083
1-Propanol, 2,3-bis(2-propenyloxy)-
CID 110921
[(2r,4s)-2-Ethenyl-1,3-dioxolan-4-yl]methanol
CID 85272
1,3-Dioxolane-4-methanol, 2-ethenyl-, trans-
CID 85273
cis-2-Vinyl-1,3-dioxolane-4-methanol
CID 21116082
3-(3-(Allyloxy)hydroxypropoxy)propane-1,2-diol
CID 44151794
Allyloxy glycerol
CID 54335133
2-Propanol, 1-(2-hydroxyethoxy)-3-(2-propen-1-yloxy)-
CID 118025
2-Tert-butylperoxy-1-prop-2-enoxyethanol
CID 13111053
3-(1-Hydroxy-1-prop-2-enoxypropan-2-yl)oxypropane-1,2-diol
CID 3024892
3-(1-((Allyloxy)-2-hydroxymethyl)ethoxy)propane-1,2-diol
CID 44153136

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol?
The IUPAC name of 3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol (CID 3023203) is 3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol.
What is the SMILES notation for 3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol?
The canonical SMILES for 3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol is C=CCOCCC(O)OCC(O)CO.
What is the InChIKey of 3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol?
The InChIKey is YOAKRVNSFGYCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-2-4-13-5-3-9(12)14-7-8(11)6-10/h2,8-12H,1,3-7H2.
What are the key properties of 3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol?
3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol has a molecular weight of 206.24 g/mol, XLogP of -0.73, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol is sourced from PubChem (CID 3023203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).