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

C9H18O5 — CID 129166429

IUPAC2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
SMILESC=CCOCC(O)COC(CO)CO
InChIInChI=1S/C9H18O5/c1-2-3-13-6-8(12)7-14-9(4-10)5-11/h2,8-12H,1,3-7H2
InChIKeyRQJISLDRJQPCFC-UHFFFAOYSA-N
MW206.24 g/mol
LogP-1.08
Rot. Bonds9

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

2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol (PubChem CID 129166429) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
PubChem CID129166429
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
SMILESC=CCOCC(O)COC(CO)CO
InChIInChI=1S/C9H18O5/c1-2-3-13-6-8(12)7-14-9(4-10)5-11/h2,8-12H,1,3-7H2
InChIKeyRQJISLDRJQPCFC-UHFFFAOYSA-N
XLogP-1.08
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 ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
3-[2-(1-hydroxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropoxy]propane-1,2-diol
CID 172513857
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
CID 154701098
CID 154701098
1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552
1-[1-[3-[2-(2-hydroxy-3-prop-2-enoxypropoxy)-3-phenoxypropoxy]phenoxy]-3-phenoxypropan-2-yl]oxy-3-prop-2-enoxypropan-2-ol
CID 164786169

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol?
The IUPAC name of 2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol (CID 129166429) is 2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol.
What is the SMILES notation for 2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol?
The canonical SMILES for 2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol is C=CCOCC(O)COC(CO)CO.
What is the InChIKey of 2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol?
The InChIKey is RQJISLDRJQPCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-2-3-13-6-8(12)7-14-9(4-10)5-11/h2,8-12H,1,3-7H2.
What are the key properties of 2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol?
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol has a molecular weight of 206.24 g/mol, XLogP of -1.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol is sourced from PubChem (CID 129166429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).