(2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol

C8H16O3 — CID 58508376

IUPAC(2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol
SMILESCC1[C@H](C)O[C@H](CCO)[C@@H]1O
InChIInChI=1S/C8H16O3/c1-5-6(2)11-7(3-4-9)8(5)10/h5-10H,3-4H2,1-2H3/t5?,6-,7+,8+/m0/s1
InChIKeyZNOSEAZPTFGMJD-UNYLCCJPSA-N
MW160.21 g/mol
LogP0.15
Rot. Bonds2

About (2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol

(2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol (PubChem CID 58508376) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol
PubChem CID58508376
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol
SMILESCC1[C@H](C)O[C@H](CCO)[C@@H]1O
InChIInChI=1S/C8H16O3/c1-5-6(2)11-7(3-4-9)8(5)10/h5-10H,3-4H2,1-2H3/t5?,6-,7+,8+/m0/s1
InChIKeyZNOSEAZPTFGMJD-UNYLCCJPSA-N
XLogP0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol (CID 58508376) is (2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol is CC1[C@H](C)O[C@H](CCO)[C@@H]1O.
What is the InChIKey of (2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol?
The InChIKey is ZNOSEAZPTFGMJD-UNYLCCJPSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-6(2)11-7(3-4-9)8(5)10/h5-10H,3-4H2,1-2H3/t5?,6-,7+,8+/m0/s1.
What are the key properties of (2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol?
(2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(2-hydroxyethyl)-4,5-dimethyloxolan-3-ol is sourced from PubChem (CID 58508376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).