2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol

C8H16O2 — CID 67559494

IUPAC2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol
SMILESC[C@@H]1OC[C@H](C)[C@@H]1CCO
InChIInChI=1S/C8H16O2/c1-6-5-10-7(2)8(6)3-4-9/h6-9H,3-5H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyWOJQDCDSBBSRAD-FXQIFTODSA-N
MW144.21 g/mol
LogP1.04
Rot. Bonds2

About 2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol

2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol (PubChem CID 67559494) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol
PubChem CID67559494
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol
SMILESC[C@@H]1OC[C@H](C)[C@@H]1CCO
InChIInChI=1S/C8H16O2/c1-6-5-10-7(2)8(6)3-4-9/h6-9H,3-5H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyWOJQDCDSBBSRAD-FXQIFTODSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol?
The IUPAC name of 2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol (CID 67559494) is 2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol.
What is the SMILES notation for 2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol?
The canonical SMILES for 2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol is C[C@@H]1OC[C@H](C)[C@@H]1CCO.
What is the InChIKey of 2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol?
The InChIKey is WOJQDCDSBBSRAD-FXQIFTODSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-5-10-7(2)8(6)3-4-9/h6-9H,3-5H2,1-2H3/t6-,7-,8-/m0/s1.
What are the key properties of 2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol?
2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol has a molecular weight of 144.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S,4R)-2,4-dimethyloxolan-3-yl]ethanol is sourced from PubChem (CID 67559494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).