(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane

C18H28O3 — CID 167640329

IUPAC(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane
SMILESCC[C@@H]1C(C)[C@@H](OC)OC(COCc2ccccc2)[C@H]1C
InChIInChI=1S/C18H28O3/c1-5-16-13(2)17(21-18(19-4)14(16)3)12-20-11-15-9-7-6-8-10-15/h6-10,13-14,16-18H,5,11-12H2,1-4H3/t13-,14?,16-,17?,18-/m0/s1
InChIKeyOAMJQEGUEMKBLR-QBRIDXRCSA-N
MW292.42 g/mol
LogP3.87
Rot. Bonds6

About (2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane

(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane (PubChem CID 167640329) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane
PubChem CID167640329
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane
SMILESCC[C@@H]1C(C)[C@@H](OC)OC(COCc2ccccc2)[C@H]1C
InChIInChI=1S/C18H28O3/c1-5-16-13(2)17(21-18(19-4)14(16)3)12-20-11-15-9-7-6-8-10-15/h6-10,13-14,16-18H,5,11-12H2,1-4H3/t13-,14?,16-,17?,18-/m0/s1
InChIKeyOAMJQEGUEMKBLR-QBRIDXRCSA-N
XLogP3.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3R,5S)-6-ethyl-2-[(3S,4R,6S)-6-methoxy-4,5-dimethyl-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-trimethylsilane
CID 167608349
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 22887291
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(1R,2S,4S,5S)-2-methoxy-6-methyl-4-(phenylmethoxymethyl)-3-oxa-6-azabicyclo[3.1.0]hexane
CID 122217830
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 14374475
(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10828905
2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane
CID 71142584
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane (CID 167640329) is (2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane is CC[C@@H]1C(C)[C@@H](OC)OC(COCc2ccccc2)[C@H]1C.
What is the InChIKey of (2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane?
The InChIKey is OAMJQEGUEMKBLR-QBRIDXRCSA-N. The full InChI is InChI=1S/C18H28O3/c1-5-16-13(2)17(21-18(19-4)14(16)3)12-20-11-15-9-7-6-8-10-15/h6-10,13-14,16-18H,5,11-12H2,1-4H3/t13-,14?,16-,17?,18-/m0/s1.
What are the key properties of (2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane?
(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane has a molecular weight of 292.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 167640329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).