(2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane

C16H22O3 — CID 14056916

IUPAC(2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane
SMILESC=C[C@@]1(C)C[C@H](OCc2ccccc2)C[C@@H](OC)O1
InChIInChI=1S/C16H22O3/c1-4-16(2)11-14(10-15(17-3)19-16)18-12-13-8-6-5-7-9-13/h4-9,14-15H,1,10-12H2,2-3H3/t14-,15+,16+/m1/s1
InChIKeyLFNAZIZBLUOSTN-PMPSAXMXSA-N
MW262.35 g/mol
LogP3.30
Rot. Bonds5

About (2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane

(2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane (PubChem CID 14056916) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane.

Molecular Properties

Compound Name(2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane
PubChem CID14056916
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane
SMILESC=C[C@@]1(C)C[C@H](OCc2ccccc2)C[C@@H](OC)O1
InChIInChI=1S/C16H22O3/c1-4-16(2)11-14(10-15(17-3)19-16)18-12-13-8-6-5-7-9-13/h4-9,14-15H,1,10-12H2,2-3H3/t14-,15+,16+/m1/s1
InChIKeyLFNAZIZBLUOSTN-PMPSAXMXSA-N
XLogP3.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-2-ethenyl-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 124677269
1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane
CID 20751877
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
(2S,3R,4S,5S,6R)-2-ethenyl-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 122227332
2,4-bis(phenylmethoxy)oxane
CID 123735835
(4S,5R)-5-ethenyl-2-methoxy-3,3-dimethyl-4-phenylmethoxyoxolane
CID 102188861
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane?
The IUPAC name of (2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane (CID 14056916) is (2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane.
What is the SMILES notation for (2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane?
The canonical SMILES for (2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane is C=C[C@@]1(C)C[C@H](OCc2ccccc2)C[C@@H](OC)O1.
What is the InChIKey of (2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane?
The InChIKey is LFNAZIZBLUOSTN-PMPSAXMXSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-16(2)11-14(10-15(17-3)19-16)18-12-13-8-6-5-7-9-13/h4-9,14-15H,1,10-12H2,2-3H3/t14-,15+,16+/m1/s1.
What are the key properties of (2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane?
(2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane has a molecular weight of 262.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-2-ethenyl-6-methoxy-2-methyl-4-phenylmethoxyoxane is sourced from PubChem (CID 14056916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).