(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane

C10H20O2 — CID 58651620

IUPAC(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane
SMILESCCO[C@H]1C[C@@H](C)[C@@H](C)C(C)O1
InChIInChI=1S/C10H20O2/c1-5-11-10-6-7(2)8(3)9(4)12-10/h7-10H,5-6H2,1-4H3/t7-,8-,9?,10-/m1/s1
InChIKeyODKQNYDVLVDOMP-XKSJUCENSA-N
MW172.27 g/mol
LogP2.43
Rot. Bonds2

About (3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane

(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane (PubChem CID 58651620) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane.

Molecular Properties

Compound Name(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane
PubChem CID58651620
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane
SMILESCCO[C@H]1C[C@@H](C)[C@@H](C)C(C)O1
InChIInChI=1S/C10H20O2/c1-5-11-10-6-7(2)8(3)9(4)12-10/h7-10H,5-6H2,1-4H3/t7-,8-,9?,10-/m1/s1
InChIKeyODKQNYDVLVDOMP-XKSJUCENSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343
6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
(2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane
CID 126608883
(2S,3R)-2,3,4,6-tetramethyloxane
CID 162125825
2,3,4,6-tetramethyloxane
CID 20816370
5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran
CID 20764067
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
(3S,5S)-3-ethoxy-5-methyldioxolane
CID 119097936
(2S,3aR,4S,7aR)-2-ethoxy-4,6,6-trimethyl-3,3a,4,5,7,7a-hexahydro-2H-1-benzofuran
CID 99942030
tert-butyl-[(1S)-1-[(2R,3R)-5-ethoxy-3-methyloxolan-2-yl]ethoxy]-dimethylsilane
CID 53386489
(2R,4S)-2-ethoxy-4-methyloxolane
CID 10558657
(2S,3S,4S,5S,6S)-3-ethoxy-4,5-dimethoxy-2,6-dimethyloxane
CID 58620285

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane?
The IUPAC name of (3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane (CID 58651620) is (3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane.
What is the SMILES notation for (3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane?
The canonical SMILES for (3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane is CCO[C@H]1C[C@@H](C)[C@@H](C)C(C)O1.
What is the InChIKey of (3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane?
The InChIKey is ODKQNYDVLVDOMP-XKSJUCENSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-11-10-6-7(2)8(3)9(4)12-10/h7-10H,5-6H2,1-4H3/t7-,8-,9?,10-/m1/s1.
What are the key properties of (3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane?
(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane is sourced from PubChem (CID 58651620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).