2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane

C18H28O2S — CID 71142584

IUPAC2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane
SMILESCCSC1OC(COCc2ccccc2)C(C)C(C)C1C
InChIInChI=1S/C18H28O2S/c1-5-21-18-15(4)13(2)14(3)17(20-18)12-19-11-16-9-7-6-8-10-16/h6-10,13-15,17-18H,5,11-12H2,1-4H3
InChIKeyTWYRMLYJDOFXCP-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.59
Rot. Bonds6

About 2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane

2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane (PubChem CID 71142584) has the molecular formula C18H28O2S and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane
PubChem CID71142584
Molecular FormulaC18H28O2S
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane
SMILESCCSC1OC(COCc2ccccc2)C(C)C(C)C1C
InChIInChI=1S/C18H28O2S/c1-5-21-18-15(4)13(2)14(3)17(20-18)12-19-11-16-9-7-6-8-10-16/h6-10,13-15,17-18H,5,11-12H2,1-4H3
InChIKeyTWYRMLYJDOFXCP-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S,6S)-6-ethylsulfanyl-5-methyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 146033274
(3S,4S,6S)-6-ethylsulfanyl-5-methyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 70898350
(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane
CID 102377923
(2S,3S,4R,5R)-2-ethylsulfanyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 11145046
(2S,4R,5R)-2,3,4,5-tetramethyl-6-(phenylmethoxymethyl)oxane;(3S,4S,6S)-3,4,5-trimethyl-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 158500659
(2S,3R,4S,5S,6R)-2-ethylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11050171
(2S,3R,4R,5S,6R)-2-ethylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 67062933
[(3S,4S,6S)-6-ethylsulfanyl-3,4,5-trimethyloxan-2-yl]methyl benzoate
CID 118241367
[(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(phenylmethoxymethyl)-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-yl]oxy-tri(propan-2-yl)silane
CID 102374439
(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane
CID 167640329
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2S,3R,4S,5S,6R)-2-ethylsulfanyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane
CID 122376699

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane?
The IUPAC name of 2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane (CID 71142584) is 2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for 2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for 2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane is CCSC1OC(COCc2ccccc2)C(C)C(C)C1C.
What is the InChIKey of 2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane?
The InChIKey is TWYRMLYJDOFXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2S/c1-5-21-18-15(4)13(2)14(3)17(20-18)12-19-11-16-9-7-6-8-10-16/h6-10,13-15,17-18H,5,11-12H2,1-4H3.
What are the key properties of 2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane?
2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane has a molecular weight of 308.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 71142584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).