(2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol

C9H20O5 — CID 10035953

IUPAC(2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol
SMILESCOC(CC(CO)[C@H](O)CCO)OC
InChIInChI=1S/C9H20O5/c1-13-9(14-2)5-7(6-11)8(12)3-4-10/h7-12H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyFZJSGACCCJOEJA-BRFYHDHCSA-N
MW208.25 g/mol
LogP-0.65
Rot. Bonds8

About (2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol

(2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol (PubChem CID 10035953) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is (2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol.

Molecular Properties

Compound Name(2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol
PubChem CID10035953
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name(2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol
SMILESCOC(CC(CO)[C@H](O)CCO)OC
InChIInChI=1S/C9H20O5/c1-13-9(14-2)5-7(6-11)8(12)3-4-10/h7-12H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyFZJSGACCCJOEJA-BRFYHDHCSA-N
XLogP-0.65
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-0.65
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-(hydroxymethyl)pentane-1,3,5-triol
CID 123357506
5,5-dimethoxypentane-1,3-diol
CID 57301339
4-ethylhexane-1,3-diol
CID 57229845
magnesium;2,2-dimethoxyethanol;hydride
CID 174500323
1-(3-hydroxy-1-methoxypropoxy)-3-methoxypropane-1,3-diol
CID 175535859
5,6-dimethoxyheptane-1,3,4-triol
CID 123325898
CID 59090951
CID 59090951
heptane-1,2,3,4,5,7-hexol
CID 88922638
2-(hydroxymethyl)butane-1,1,4-triol
CID 87270153
2-(3,3-dimethoxypropyl)propane-1,3-diol
CID 19350817
dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol
CID 174701036
(3R)-heptane-1,3,4,6-tetrol
CID 89087097

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol?
The IUPAC name of (2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol (CID 10035953) is (2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol.
What is the SMILES notation for (2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol?
The canonical SMILES for (2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol is COC(CC(CO)[C@H](O)CCO)OC.
What is the InChIKey of (2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol?
The InChIKey is FZJSGACCCJOEJA-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H20O5/c1-13-9(14-2)5-7(6-11)8(12)3-4-10/h7-12H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol?
(2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol has a molecular weight of 208.25 g/mol, XLogP of -0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,2-dimethoxyethyl)pentane-1,3,5-triol is sourced from PubChem (CID 10035953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).