(5S)-5-methyloxolane-2,2-diol

C5H10O3 — CID 166449491

IUPAC(5S)-5-methyloxolane-2,2-diol
SMILESC[C@H]1CCC(O)(O)O1
InChIInChI=1S/C5H10O3/c1-4-2-3-5(6,7)8-4/h4,6-7H,2-3H2,1H3/t4-/m0/s1
InChIKeyMGKWNPVXYGZJRN-BYPYZUCNSA-N
MW118.13 g/mol
LogP-0.18
Rot. Bonds

About (5S)-5-methyloxolane-2,2-diol

(5S)-5-methyloxolane-2,2-diol (PubChem CID 166449491) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (5S)-5-methyloxolane-2,2-diol.

Molecular Properties

Compound Name(5S)-5-methyloxolane-2,2-diol
PubChem CID166449491
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(5S)-5-methyloxolane-2,2-diol
SMILESC[C@H]1CCC(O)(O)O1
InChIInChI=1S/C5H10O3/c1-4-2-3-5(6,7)8-4/h4,6-7H,2-3H2,1H3/t4-/m0/s1
InChIKeyMGKWNPVXYGZJRN-BYPYZUCNSA-N
XLogP-0.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyloxolane-2,2-diol?
The IUPAC name of (5S)-5-methyloxolane-2,2-diol (CID 166449491) is (5S)-5-methyloxolane-2,2-diol.
What is the SMILES notation for (5S)-5-methyloxolane-2,2-diol?
The canonical SMILES for (5S)-5-methyloxolane-2,2-diol is C[C@H]1CCC(O)(O)O1.
What is the InChIKey of (5S)-5-methyloxolane-2,2-diol?
The InChIKey is MGKWNPVXYGZJRN-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10O3/c1-4-2-3-5(6,7)8-4/h4,6-7H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of (5S)-5-methyloxolane-2,2-diol?
(5S)-5-methyloxolane-2,2-diol has a molecular weight of 118.13 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyloxolane-2,2-diol is sourced from PubChem (CID 166449491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).