1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol

C8H16O3 — CID 88980045

IUPAC1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol
SMILESCC1CC(C)[C@@H](C(O)CO)O1
InChIInChI=1S/C8H16O3/c1-5-3-6(2)11-8(5)7(10)4-9/h5-10H,3-4H2,1-2H3/t5?,6?,7?,8-/m0/s1
InChIKeyUWMIIHUSWLHJBN-AWEWAEBESA-N
MW160.21 g/mol
LogP0.15
Rot. Bonds2

About 1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol

1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol (PubChem CID 88980045) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol
PubChem CID88980045
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol
SMILESCC1CC(C)[C@@H](C(O)CO)O1
InChIInChI=1S/C8H16O3/c1-5-3-6(2)11-8(5)7(10)4-9/h5-10H,3-4H2,1-2H3/t5?,6?,7?,8-/m0/s1
InChIKeyUWMIIHUSWLHJBN-AWEWAEBESA-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 1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol (CID 88980045) is 1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol is CC1CC(C)[C@@H](C(O)CO)O1.
What is the InChIKey of 1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol?
The InChIKey is UWMIIHUSWLHJBN-AWEWAEBESA-N. The full InChI is InChI=1S/C8H16O3/c1-5-3-6(2)11-8(5)7(10)4-9/h5-10H,3-4H2,1-2H3/t5?,6?,7?,8-/m0/s1.
What are the key properties of 1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol?
1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol 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 1-[(2S)-3,5-dimethyloxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 88980045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).