(3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol

C9H18O3 — CID 102209062

IUPAC(3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol
SMILESCC[C@@H]1OC(O)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C9H18O3/c1-4-7-5(2)8(10)6(3)9(11)12-7/h5-11H,4H2,1-3H3/t5-,6+,7-,8+,9?/m0/s1
InChIKeyDZUQYEPFSRMAAG-WUQSDXJHSA-N
MW174.24 g/mol
LogP0.75
Rot. Bonds1

About (3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol

(3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol (PubChem CID 102209062) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol.

Molecular Properties

Compound Name(3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol
PubChem CID102209062
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol
SMILESCC[C@@H]1OC(O)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C9H18O3/c1-4-7-5(2)8(10)6(3)9(11)12-7/h5-11H,4H2,1-3H3/t5-,6+,7-,8+,9?/m0/s1
InChIKeyDZUQYEPFSRMAAG-WUQSDXJHSA-N
XLogP0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol?
The IUPAC name of (3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol (CID 102209062) is (3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol.
What is the SMILES notation for (3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol?
The canonical SMILES for (3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol is CC[C@@H]1OC(O)[C@H](C)[C@H](O)[C@H]1C.
What is the InChIKey of (3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol?
The InChIKey is DZUQYEPFSRMAAG-WUQSDXJHSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-7-5(2)8(10)6(3)9(11)12-7/h5-11H,4H2,1-3H3/t5-,6+,7-,8+,9?/m0/s1.
What are the key properties of (3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol?
(3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol has a molecular weight of 174.24 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol is sourced from PubChem (CID 102209062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).