3,4-diethyl-2-methoxy-5-methyl-6-propyloxane

C14H28O2 — CID 22948046

IUPAC3,4-diethyl-2-methoxy-5-methyl-6-propyloxane
SMILESCCCC1OC(OC)C(CC)C(CC)C1C
InChIInChI=1S/C14H28O2/c1-6-9-13-10(4)11(7-2)12(8-3)14(15-5)16-13/h10-14H,6-9H2,1-5H3
InChIKeyZWPWEZXLDDZWNV-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.85
Rot. Bonds5

About 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane

3,4-diethyl-2-methoxy-5-methyl-6-propyloxane (PubChem CID 22948046) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane.

Molecular Properties

Compound Name3,4-diethyl-2-methoxy-5-methyl-6-propyloxane
PubChem CID22948046
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3,4-diethyl-2-methoxy-5-methyl-6-propyloxane
SMILESCCCC1OC(OC)C(CC)C(CC)C1C
InChIInChI=1S/C14H28O2/c1-6-9-13-10(4)11(7-2)12(8-3)14(15-5)16-13/h10-14H,6-9H2,1-5H3
InChIKeyZWPWEZXLDDZWNV-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;6-methoxy-5-methyl-2-propyloxane-3,4-diol
CID 168912950
(2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane
CID 58349947
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
(2R,3R,4R,5R,6R)-2-[3-[(2R,3R,4R,5R,6R)-4-hydroxy-6-methoxy-3,5-dimethyloxan-2-yl]propyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 24763935
(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
CID 58241382
(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane
CID 167640329
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
2-ethyl-3-ethynyl-5-methoxy-4-methyloxolane
CID 91273987
(2R,5S)-3,4-diethyl-2-methoxy-5-methyloxane
CID 91010056
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;6-propyloxane-2,3,4,5-tetrol
CID 143929105
(2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane
CID 71048290

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane?
The IUPAC name of 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane (CID 22948046) is 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane.
What is the SMILES notation for 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane?
The canonical SMILES for 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane is CCCC1OC(OC)C(CC)C(CC)C1C.
What is the InChIKey of 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane?
The InChIKey is ZWPWEZXLDDZWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-9-13-10(4)11(7-2)12(8-3)14(15-5)16-13/h10-14H,6-9H2,1-5H3.
What are the key properties of 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane?
3,4-diethyl-2-methoxy-5-methyl-6-propyloxane has a molecular weight of 228.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2-methoxy-5-methyl-6-propyloxane is sourced from PubChem (CID 22948046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).