(2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane

C9H18O4 — CID 88978646

IUPAC(2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane
SMILESCO[C@@H]1O[C@@H](C)[C@H](OC)C[C@H]1OC
InChIInChI=1S/C9H18O4/c1-6-7(10-2)5-8(11-3)9(12-4)13-6/h6-9H,5H2,1-4H3/t6-,7+,8+,9+/m0/s1
InChIKeyYJFFBDWNVRKOKH-JQCXWYLXSA-N
MW190.24 g/mol
LogP0.80
Rot. Bonds3

About (2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane

(2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane (PubChem CID 88978646) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane.

Molecular Properties

Compound Name(2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane
PubChem CID88978646
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane
SMILESCO[C@@H]1O[C@@H](C)[C@H](OC)C[C@H]1OC
InChIInChI=1S/C9H18O4/c1-6-7(10-2)5-8(11-3)9(12-4)13-6/h6-9H,5H2,1-4H3/t6-,7+,8+,9+/m0/s1
InChIKeyYJFFBDWNVRKOKH-JQCXWYLXSA-N
XLogP0.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane?
The IUPAC name of (2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane (CID 88978646) is (2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane.
What is the SMILES notation for (2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane?
The canonical SMILES for (2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane is CO[C@@H]1O[C@@H](C)[C@H](OC)C[C@H]1OC.
What is the InChIKey of (2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane?
The InChIKey is YJFFBDWNVRKOKH-JQCXWYLXSA-N. The full InChI is InChI=1S/C9H18O4/c1-6-7(10-2)5-8(11-3)9(12-4)13-6/h6-9H,5H2,1-4H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of (2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane?
(2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane has a molecular weight of 190.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6S)-2,3,5-trimethoxy-6-methyloxane is sourced from PubChem (CID 88978646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).