(2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol

C8H16O3 — CID 101030328

IUPAC(2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol
SMILESC[C@@H](CO)[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C8H16O3/c1-6(4-9)8-3-2-7(5-10)11-8/h6-10H,2-5H2,1H3/t6-,7-,8+/m0/s1
InChIKeyXLEJIFCZGZYQNQ-BIIVOSGPSA-N
MW160.21 g/mol
LogP0.15
Rot. Bonds3

About (2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol

(2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol (PubChem CID 101030328) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol
PubChem CID101030328
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol
SMILESC[C@@H](CO)[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C8H16O3/c1-6(4-9)8-3-2-7(5-10)11-8/h6-10H,2-5H2,1H3/t6-,7-,8+/m0/s1
InChIKeyXLEJIFCZGZYQNQ-BIIVOSGPSA-N
XLogP0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 (2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol?
The IUPAC name of (2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol (CID 101030328) is (2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol is C[C@@H](CO)[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of (2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol?
The InChIKey is XLEJIFCZGZYQNQ-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(4-9)8-3-2-7(5-10)11-8/h6-10H,2-5H2,1H3/t6-,7-,8+/m0/s1.
What are the key properties of (2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol?
(2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]propan-1-ol is sourced from PubChem (CID 101030328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).