2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol

C8H18O5 — CID 59558224

IUPAC2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol
SMILESCCO[C@@](C)(CO)OC(CO)CO
InChIInChI=1S/C8H18O5/c1-3-12-8(2,6-11)13-7(4-9)5-10/h7,9-11H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyQBORLPWNJVYQPJ-MRVPVSSYSA-N
MW194.23 g/mol
LogP-0.90
Rot. Bonds7

About 2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol

2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol (PubChem CID 59558224) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol.

Molecular Properties

Compound Name2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol
PubChem CID59558224
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol
SMILESCCO[C@@](C)(CO)OC(CO)CO
InChIInChI=1S/C8H18O5/c1-3-12-8(2,6-11)13-7(4-9)5-10/h7,9-11H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyQBORLPWNJVYQPJ-MRVPVSSYSA-N
XLogP-0.90
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2,5,5-tetraethoxyhexane
CID 42611383
2-ethoxy-2-(hydroxymethyl)-3-methylbutane-1,4-diol
CID 87478259
2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 87439986
3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 140910562
2,2-dibutoxypropan-1-ol
CID 145497919
2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol
CID 59456671
3,3-diethoxy-1,1-dimethoxybutane
CID 57235388
(2S)-2-ethoxybutan-1-ol
CID 89167253
2,2-diethoxy-1-methoxypropane
CID 168868590
2,2-diethoxy-2-fluoroethanol
CID 174439051
2-(hydroxymethyl)-3-(triethoxymethyl)butane-1,4-diol
CID 18699503
4,4,4-triethoxybutane-1,2-diol
CID 88660203

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol?
The IUPAC name of 2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol (CID 59558224) is 2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol.
What is the SMILES notation for 2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol?
The canonical SMILES for 2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol is CCO[C@@](C)(CO)OC(CO)CO.
What is the InChIKey of 2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol?
The InChIKey is QBORLPWNJVYQPJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18O5/c1-3-12-8(2,6-11)13-7(4-9)5-10/h7,9-11H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol?
2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol has a molecular weight of 194.23 g/mol, XLogP of -0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol is sourced from PubChem (CID 59558224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).