(1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol

C8H14O3 — CID 134995513

IUPAC(1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol
SMILESC=C[C@H]1OC[C@@H]1[C@H](O)COC
InChIInChI=1S/C8H14O3/c1-3-8-6(4-11-8)7(9)5-10-2/h3,6-9H,1,4-5H2,2H3/t6-,7-,8-/m1/s1
InChIKeyWTHJIKSJCOAORR-BWZBUEFSSA-N
MW158.20 g/mol
LogP0.19
Rot. Bonds4

About (1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol

(1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol (PubChem CID 134995513) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol.

Molecular Properties

Compound Name(1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol
PubChem CID134995513
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol
SMILESC=C[C@H]1OC[C@@H]1[C@H](O)COC
InChIInChI=1S/C8H14O3/c1-3-8-6(4-11-8)7(9)5-10-2/h3,6-9H,1,4-5H2,2H3/t6-,7-,8-/m1/s1
InChIKeyWTHJIKSJCOAORR-BWZBUEFSSA-N
XLogP0.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.19
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

[(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenyloxetan-3-yl]methanol
CID 101718400
1-Methoxy-3-(methoxymethyl)hex-5-en-2-ol
CID 54511644
(2R,3R)-4-methoxy-2-prop-2-enylbutane-1,3-diol
CID 58260804
(3-Prop-2-enyloxetan-2-yl)methanol
CID 69422031
1-[2-(1-Hydroxyprop-2-enyl)oxetan-2-yl]prop-2-en-1-ol
CID 69647166
(4-butoxy-3-methyl-3,4-dihydro-2H-pyran-2-yl)methanol
CID 70929062
(4-Ethenyloxetan-2-yl)methanol
CID 13411033
(2S,3R,4S)-4-methoxy-2-methylhex-5-ene-1,3-diol
CID 129322406

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol?
The IUPAC name of (1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol (CID 134995513) is (1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol.
What is the SMILES notation for (1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol?
The canonical SMILES for (1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol is C=C[C@H]1OC[C@@H]1[C@H](O)COC.
What is the InChIKey of (1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol?
The InChIKey is WTHJIKSJCOAORR-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-8-6(4-11-8)7(9)5-10-2/h3,6-9H,1,4-5H2,2H3/t6-,7-,8-/m1/s1.
What are the key properties of (1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol?
(1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol has a molecular weight of 158.20 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3R)-2-ethenyloxetan-3-yl]-2-methoxyethanol is sourced from PubChem (CID 134995513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).