(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol

C9H18O4 — CID 129234944

IUPAC(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol
SMILESCC[C@H]1O[C@@H](OC)C[C@@H](O)[C@@H]1OC
InChIInChI=1S/C9H18O4/c1-4-7-9(12-3)6(10)5-8(11-2)13-7/h6-10H,4-5H2,1-3H3/t6-,7-,8-,9+/m1/s1
InChIKeyMATHOUYKYMSAFI-BGZDPUMWSA-N
MW190.24 g/mol
LogP0.53
Rot. Bonds3

About (2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol

(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol (PubChem CID 129234944) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol
PubChem CID129234944
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol
SMILESCC[C@H]1O[C@@H](OC)C[C@@H](O)[C@@H]1OC
InChIInChI=1S/C9H18O4/c1-4-7-9(12-3)6(10)5-8(11-2)13-7/h6-10H,4-5H2,1-3H3/t6-,7-,8-,9+/m1/s1
InChIKeyMATHOUYKYMSAFI-BGZDPUMWSA-N
XLogP0.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
CID 142600377
5-ethyl-4-methoxyoxolane-2,3-diol
CID 74429889
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
(2R,3S,4R,6S)-2-ethyl-4-(heptylamino)-6-methoxyoxan-3-ol
CID 101381510
2-ethyl-6-methoxy-5-methyloxan-3-ol
CID 91204206
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
(2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol
CID 174116775
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol?
The IUPAC name of (2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol (CID 129234944) is (2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol.
What is the SMILES notation for (2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol?
The canonical SMILES for (2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol is CC[C@H]1O[C@@H](OC)C[C@@H](O)[C@@H]1OC.
What is the InChIKey of (2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol?
The InChIKey is MATHOUYKYMSAFI-BGZDPUMWSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-7-9(12-3)6(10)5-8(11-2)13-7/h6-10H,4-5H2,1-3H3/t6-,7-,8-,9+/m1/s1.
What are the key properties of (2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol?
(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol has a molecular weight of 190.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol is sourced from PubChem (CID 129234944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).