[(2R,3R)-3-but-3-enyloxiran-2-yl]methanol

C7H12O2 — CID 11768588

IUPAC[(2R,3R)-3-but-3-enyloxiran-2-yl]methanol
SMILESC=CCC[C@H]1O[C@@H]1CO
InChIInChI=1S/C7H12O2/c1-2-3-4-6-7(5-8)9-6/h2,6-8H,1,3-5H2/t6-,7-/m1/s1
InChIKeyOVLPDVLFVFTDIN-RNFRBKRXSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds4

About [(2R,3R)-3-but-3-enyloxiran-2-yl]methanol

[(2R,3R)-3-but-3-enyloxiran-2-yl]methanol (PubChem CID 11768588) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(2R,3R)-3-but-3-enyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-but-3-enyloxiran-2-yl]methanol
PubChem CID11768588
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(2R,3R)-3-but-3-enyloxiran-2-yl]methanol
SMILESC=CCC[C@H]1O[C@@H]1CO
InChIInChI=1S/C7H12O2/c1-2-3-4-6-7(5-8)9-6/h2,6-8H,1,3-5H2/t6-,7-/m1/s1
InChIKeyOVLPDVLFVFTDIN-RNFRBKRXSA-N
XLogP0.71
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R)-3-prop-2-enyloxiran-2-yl]methanol
CID 10942386
1-(Oxiran-2-yl)but-3-en-1-ol
CID 11126217
[(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol
CID 11170943
(1S)-1-[(2S,3S)-3-methyloxiran-2-yl]but-3-en-1-ol
CID 11789230
1-(3-Methyloxiranyl)-3-buten-1-ol
CID 13212847
1-(Oxiran-2-yl)pent-4-en-2-ol
CID 13895982
(R*,R*)-alpha-2-propenyloxiraneethanol
CID 13895984
(1R)-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 14906715
((2S,3S)-3-allyloxiran-2-yl)methanol
CID 19093098
(3-Pent-4-enyloxiran-2-yl)methanol
CID 14017287
[3-(Hex-5-EN-1-YL)oxiran-2-YL]methanol
CID 14152344
(2R)-3-dec-9-enoxypropane-1,2-diol
CID 176452093

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-but-3-enyloxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-but-3-enyloxiran-2-yl]methanol (CID 11768588) is [(2R,3R)-3-but-3-enyloxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-but-3-enyloxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-but-3-enyloxiran-2-yl]methanol is C=CCC[C@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-but-3-enyloxiran-2-yl]methanol?
The InChIKey is OVLPDVLFVFTDIN-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-4-6-7(5-8)9-6/h2,6-8H,1,3-5H2/t6-,7-/m1/s1.
What are the key properties of [(2R,3R)-3-but-3-enyloxiran-2-yl]methanol?
[(2R,3R)-3-but-3-enyloxiran-2-yl]methanol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-but-3-enyloxiran-2-yl]methanol is sourced from PubChem (CID 11768588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).