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

C6H10O3 — CID 21116082

IUPAC[(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol
SMILESC=C[C@H]1OC[C@@H](CO)O1
InChIInChI=1S/C6H10O3/c1-2-6-8-4-5(3-7)9-6/h2,5-7H,1,3-4H2/t5-,6+/m1/s1
InChIKeyJMAUXGPDSZGZAJ-RITPCOANSA-N
MW130.14 g/mol
LogP-0.09
Rot. Bonds2

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

[(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol (PubChem CID 21116082) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is [(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol
PubChem CID21116082
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name[(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol
SMILESC=C[C@H]1OC[C@@H](CO)O1
InChIInChI=1S/C6H10O3/c1-2-6-8-4-5(3-7)9-6/h2,5-7H,1,3-4H2/t5-,6+/m1/s1
InChIKeyJMAUXGPDSZGZAJ-RITPCOANSA-N
XLogP-0.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-Dioxan-5-ol, 2-ethenyl-, cis-
CID 85274
1,3-Dioxolane-4-methanol, 2-ethenyl-, cis-
CID 545210
[(2S,4S)-2-ethenyl-1,3-dioxolan-4-yl]methanol
CID 21116083
[(2r,4s)-2-Ethenyl-1,3-dioxolan-4-yl]methanol
CID 85272
1,3-Dioxolane-4-methanol, 2-ethenyl-, trans-
CID 85273
3-(3-(Allyloxy)hydroxypropoxy)propane-1,2-diol
CID 44151794
Allyloxy glycerol
CID 54335133
4-Allyloxymethyl-2-vinyl-1,3-dioxolane
CID 13237943
3-(3-(Allyloxy)-1-hydroxypropoxy)propane-1,2-diol
CID 3023203
3-(1-Hydroxy-1-prop-2-enoxypropan-2-yl)oxypropane-1,2-diol
CID 3024892
3-(1-((Allyloxy)-2-hydroxymethyl)ethoxy)propane-1,2-diol
CID 44153136
(4-Ethenyl-2-methyl-1,3-dioxolan-2-yl)methanol
CID 11701054

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol (CID 21116082) is [(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol is C=C[C@H]1OC[C@@H](CO)O1.
What is the InChIKey of [(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is JMAUXGPDSZGZAJ-RITPCOANSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-6-8-4-5(3-7)9-6/h2,5-7H,1,3-4H2/t5-,6+/m1/s1.
What are the key properties of [(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol?
[(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 130.14 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-ethenyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 21116082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).