2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol

C8H18O5 — CID 59456671

IUPAC2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol
SMILESCC[C@H](CO)OC(CO)(CO)OC
InChIInChI=1S/C8H18O5/c1-3-7(4-9)13-8(5-10,6-11)12-2/h7,9-11H,3-6H2,1-2H3/t7-/m1/s1
InChIKeySTTHAHOQEBRWIE-SSDOTTSWSA-N
MW194.23 g/mol
LogP-0.90
Rot. Bonds7

About 2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol

2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol (PubChem CID 59456671) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol.

Molecular Properties

Compound Name2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol
PubChem CID59456671
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol
SMILESCC[C@H](CO)OC(CO)(CO)OC
InChIInChI=1S/C8H18O5/c1-3-7(4-9)13-8(5-10,6-11)12-2/h7,9-11H,3-6H2,1-2H3/t7-/m1/s1
InChIKeySTTHAHOQEBRWIE-SSDOTTSWSA-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-(1-hydroxybutan-2-yloxy)-2-methoxypropane-1,3-diol;2-[3-(hydroxymethyl)pentan-3-yloxy]propane-1,3-diol
CID 160824573
2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol
CID 87486129
(2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol
CID 88564305
ethane;2-methoxybutan-1-ol
CID 174440725
(2S)-2-ethoxybutan-1-ol
CID 89167253
2-[(2R)-2-ethoxy-1-hydroxypropan-2-yl]oxypropane-1,3-diol
CID 59558224
5-chloro-2,2-dimethoxypentan-1-ol
CID 174742115
2-methoxyhexane-1,4,5-triol
CID 145388583
3-chloro-2-methoxypropan-1-ol;ethane
CID 153379962
(2S)-2-methoxy-3-(methylamino)propan-1-ol
CID 176680341
3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 140910562
2-(2-ethoxy-1-methoxyethoxy)butan-1-ol
CID 118017313

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol?
The IUPAC name of 2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol (CID 59456671) is 2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol.
What is the SMILES notation for 2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol?
The canonical SMILES for 2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol is CC[C@H](CO)OC(CO)(CO)OC.
What is the InChIKey of 2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol?
The InChIKey is STTHAHOQEBRWIE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18O5/c1-3-7(4-9)13-8(5-10,6-11)12-2/h7,9-11H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol?
2-[(2R)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-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)-1-hydroxybutan-2-yl]oxy-2-methoxypropane-1,3-diol is sourced from PubChem (CID 59456671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).