2-ethyl-6-methoxy-5-methyloxan-3-ol

C9H18O3 — CID 91204206

IUPAC2-ethyl-6-methoxy-5-methyloxan-3-ol
SMILESCCC1OC(OC)C(C)CC1O
InChIInChI=1S/C9H18O3/c1-4-8-7(10)5-6(2)9(11-3)12-8/h6-10H,4-5H2,1-3H3
InChIKeyQVNJLMOPPFNYOJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.15
Rot. Bonds2

About 2-ethyl-6-methoxy-5-methyloxan-3-ol

2-ethyl-6-methoxy-5-methyloxan-3-ol (PubChem CID 91204206) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-5-methyloxan-3-ol.

Molecular Properties

Compound Name2-ethyl-6-methoxy-5-methyloxan-3-ol
PubChem CID91204206
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-ethyl-6-methoxy-5-methyloxan-3-ol
SMILESCCC1OC(OC)C(C)CC1O
InChIInChI=1S/C9H18O3/c1-4-8-7(10)5-6(2)9(11-3)12-8/h6-10H,4-5H2,1-3H3
InChIKeyQVNJLMOPPFNYOJ-UHFFFAOYSA-N
XLogP1.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-ol
CID 11137649
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
(2S,5R)-2-ethyl-5-methyloxolan-3-ol;hydrate
CID 91272276
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
(4S,5S)-5-ethyl-4-methyloxolan-2-ol
CID 59992917
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol
CID 129234944
(3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
CID 158893262
(2S,4R,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
CID 122450252

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-5-methyloxan-3-ol?
The IUPAC name of 2-ethyl-6-methoxy-5-methyloxan-3-ol (CID 91204206) is 2-ethyl-6-methoxy-5-methyloxan-3-ol.
What is the SMILES notation for 2-ethyl-6-methoxy-5-methyloxan-3-ol?
The canonical SMILES for 2-ethyl-6-methoxy-5-methyloxan-3-ol is CCC1OC(OC)C(C)CC1O.
What is the InChIKey of 2-ethyl-6-methoxy-5-methyloxan-3-ol?
The InChIKey is QVNJLMOPPFNYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-8-7(10)5-6(2)9(11-3)12-8/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-6-methoxy-5-methyloxan-3-ol?
2-ethyl-6-methoxy-5-methyloxan-3-ol has a molecular weight of 174.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-5-methyloxan-3-ol is sourced from PubChem (CID 91204206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).