(4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol

C9H18O4 — CID 167690761

IUPAC(4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol
SMILESCCC1(OC)OCC(O)[C@@H](C)C1O
InChIInChI=1S/C9H18O4/c1-4-9(12-3)8(11)6(2)7(10)5-13-9/h6-8,10-11H,4-5H2,1-3H3/t6-,7?,8?,9?/m1/s1
InChIKeyYDTDLCJNNGTLIW-LJSVPSOQSA-N
MW190.24 g/mol
LogP0.13
Rot. Bonds2

About (4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol

(4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol (PubChem CID 167690761) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol.

Molecular Properties

Compound Name(4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol
PubChem CID167690761
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol
SMILESCCC1(OC)OCC(O)[C@@H](C)C1O
InChIInChI=1S/C9H18O4/c1-4-9(12-3)8(11)6(2)7(10)5-13-9/h6-8,10-11H,4-5H2,1-3H3/t6-,7?,8?,9?/m1/s1
InChIKeyYDTDLCJNNGTLIW-LJSVPSOQSA-N
XLogP0.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 101231917
(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 131019383
(2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6325163
(2R,3S,4R,5R)-2-(hydroxymethyl)-2-propoxyoxane-3,4,5-triol
CID 102044238
(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 89336790
(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 158000416
(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812
1-ethyl-2-oxabicyclo[3.2.0]heptane-4,6,7-triol
CID 118448677
(2R,3S,4R,5S)-2-dodecoxy-2-(hydroxymethyl)oxane-3,4,5-triol
CID 101009512
(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 56657680
(2S,3S,4R,5S)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol
CID 78226014
(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol
CID 15756112

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol?
The IUPAC name of (4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol (CID 167690761) is (4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol.
What is the SMILES notation for (4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol?
The canonical SMILES for (4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol is CCC1(OC)OCC(O)[C@@H](C)C1O.
What is the InChIKey of (4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol?
The InChIKey is YDTDLCJNNGTLIW-LJSVPSOQSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-9(12-3)8(11)6(2)7(10)5-13-9/h6-8,10-11H,4-5H2,1-3H3/t6-,7?,8?,9?/m1/s1.
What are the key properties of (4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol?
(4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol has a molecular weight of 190.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-2-methoxy-4-methyloxane-3,5-diol is sourced from PubChem (CID 167690761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).