(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane

C15H20O3 — CID 124677269

IUPAC(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane
SMILESC=C[C@@]1(COCc2ccccc2)CC[C@@H](OC)O1
InChIInChI=1S/C15H20O3/c1-3-15(10-9-14(16-2)18-15)12-17-11-13-7-5-4-6-8-13/h3-8,14H,1,9-12H2,2H3/t14-,15-/m0/s1
InChIKeyMXBZONPALQWKLH-GJZGRUSLSA-N
MW248.32 g/mol
LogP2.91
Rot. Bonds6

About (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane

(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane (PubChem CID 124677269) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane
PubChem CID124677269
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane
SMILESC=C[C@@]1(COCc2ccccc2)CC[C@@H](OC)O1
InChIInChI=1S/C15H20O3/c1-3-15(10-9-14(16-2)18-15)12-17-11-13-7-5-4-6-8-13/h3-8,14H,1,9-12H2,2H3/t14-,15-/m0/s1
InChIKeyMXBZONPALQWKLH-GJZGRUSLSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S,5R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propan-1-ol
CID 124677262
(5S)-5-ethenyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10513737
5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde
CID 172728928
(2S)-6-methoxy-2-nonyl-2-(phenylmethoxymethyl)oxane
CID 11164361
[(2S,3S)-3-ethenyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 11746143
(2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane
CID 14056916
5-ethenyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 123802653
(2R,3R)-2-ethenyl-5-methoxy-3-(phenylmethoxymethyl)oxolane
CID 10944791
(2R,5S)-2-ethyl-5-phenyl-2-(phenylmethoxymethyl)oxolane
CID 7832534
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 134289630

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane?
The IUPAC name of (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane (CID 124677269) is (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane is C=C[C@@]1(COCc2ccccc2)CC[C@@H](OC)O1.
What is the InChIKey of (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane?
The InChIKey is MXBZONPALQWKLH-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-15(10-9-14(16-2)18-15)12-17-11-13-7-5-4-6-8-13/h3-8,14H,1,9-12H2,2H3/t14-,15-/m0/s1.
What are the key properties of (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane?
(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane has a molecular weight of 248.32 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 124677269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).