(4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane

C14H20O2S — CID 10777219

IUPAC(4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane
SMILESCCOC1C[C@H](CSc2ccccc2)CCO1
InChIInChI=1S/C14H20O2S/c1-2-15-14-10-12(8-9-16-14)11-17-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3/t12-,14?/m1/s1
InChIKeyNJCYOYOZYZOMPG-PUODRLBUSA-N
MW252.38 g/mol
LogP3.57
Rot. Bonds5

About (4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane

(4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane (PubChem CID 10777219) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is (4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane.

Molecular Properties

Compound Name(4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane
PubChem CID10777219
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name(4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane
SMILESCCOC1C[C@H](CSc2ccccc2)CCO1
InChIInChI=1S/C14H20O2S/c1-2-15-14-10-12(8-9-16-14)11-17-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3/t12-,14?/m1/s1
InChIKeyNJCYOYOZYZOMPG-PUODRLBUSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2-Diethoxyethyl)thio]-4-fluorobenzene
CID 12475295
[(3,3-Diethoxypropyl)sulfanyl]benzene
CID 3746341
(2,2-Diethoxyethyl)(p-tolyl)sulfane
CID 7015317
[(2,2-Diethoxyethyl)sulfanyl]benzene
CID 12463580
4-Methyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361775
2-[(2E,6E)-3,7-dimethyl-8-phenylsulfanyl-octa-2,6-dienoxy]tetrahydropyran
CID 12116733
2-[2-(Phenylthio)prop-2-enoxy]tetrahydropyran
CID 24973546
4,4-Dimethyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361777
2-((5,5-Bis(phenylthio)pentyl)oxy)tetrahydro-2H-pyran
CID 361790
2-{[5-(S-Benzene-N-methanesulfonimidoyl)-5-fluoropentyl]oxy}oxane
CID 20277603
2-[3-(2,4-Difluorophenyl)sulfanylpropoxy]oxane
CID 57663225
(2,2-Diethoxyethyl)(2-fluorophenyl)sulfane
CID 63630437

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane?
The IUPAC name of (4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane (CID 10777219) is (4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane.
What is the SMILES notation for (4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane?
The canonical SMILES for (4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane is CCOC1C[C@H](CSc2ccccc2)CCO1.
What is the InChIKey of (4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane?
The InChIKey is NJCYOYOZYZOMPG-PUODRLBUSA-N. The full InChI is InChI=1S/C14H20O2S/c1-2-15-14-10-12(8-9-16-14)11-17-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3/t12-,14?/m1/s1.
What are the key properties of (4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane?
(4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane has a molecular weight of 252.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethoxy-4-(phenylsulfanylmethyl)oxane is sourced from PubChem (CID 10777219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).