[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol

C5H10O3 — CID 23262094

IUPAC[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESC[C@H]1OC[C@H](CO)O1
InChIInChI=1S/C5H10O3/c1-4-7-3-5(2-6)8-4/h4-6H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyZCYJBTKNPHKPPN-WHFBIAKZSA-N
MW118.13 g/mol
LogP-0.26
Rot. Bonds1

About [(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol

[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 23262094) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is [(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID23262094
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESC[C@H]1OC[C@H](CO)O1
InChIInChI=1S/C5H10O3/c1-4-7-3-5(2-6)8-4/h4-6H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyZCYJBTKNPHKPPN-WHFBIAKZSA-N
XLogP-0.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 23262094) is [(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol is C[C@H]1OC[C@H](CO)O1.
What is the InChIKey of [(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is ZCYJBTKNPHKPPN-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10O3/c1-4-7-3-5(2-6)8-4/h4-6H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of [(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol?
[(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 118.13 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 23262094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).