3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane

C15H28O3 — CID 91145508

IUPAC3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane
SMILESC=COC1CC(C)COC1COC(CC)CCC
InChIInChI=1S/C15H28O3/c1-5-8-13(6-2)17-11-15-14(16-7-3)9-12(4)10-18-15/h7,12-15H,3,5-6,8-11H2,1-2,4H3
InChIKeyQGSCRDWNPVIMDL-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.54
Rot. Bonds8

About 3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane

3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane (PubChem CID 91145508) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane.

Molecular Properties

Compound Name3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane
PubChem CID91145508
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane
SMILESC=COC1CC(C)COC1COC(CC)CCC
InChIInChI=1S/C15H28O3/c1-5-8-13(6-2)17-11-15-14(16-7-3)9-12(4)10-18-15/h7,12-15H,3,5-6,8-11H2,1-2,4H3
InChIKeyQGSCRDWNPVIMDL-UHFFFAOYSA-N
XLogP3.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R)-4-fluoro-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138928
(2R,4S,5R)-4-fluoro-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138954
(2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
CID 67501840
4-Fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
CID 77304266
3-Ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane
CID 90768889
(2R,3R,4S,5R)-4-fluoro-3-methoxy-5-methyl-2-(propan-2-yloxymethyl)oxane
CID 169976674
3-Butoxy-4-(2-methylpropyl)oxane
CID 57001488
(2S,4S,5S)-2-(heptoxymethyl)-4-methoxy-5-methyloxane
CID 57061456
2-(3-Methylbutyl)-1,4-dioxane
CID 57141536
(3S,4R,5R)-4,5-dimethoxy-2,3-dimethyloxane
CID 58076547
(3S)-4,5-dimethoxy-2,3-dimethyloxane
CID 59932067
(2R,3S,4S,5R)-4-methoxy-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138953

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane?
The IUPAC name of 3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane (CID 91145508) is 3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane.
What is the SMILES notation for 3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane?
The canonical SMILES for 3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane is C=COC1CC(C)COC1COC(CC)CCC.
What is the InChIKey of 3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane?
The InChIKey is QGSCRDWNPVIMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-5-8-13(6-2)17-11-15-14(16-7-3)9-12(4)10-18-15/h7,12-15H,3,5-6,8-11H2,1-2,4H3.
What are the key properties of 3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane?
3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane has a molecular weight of 256.39 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-2-(hexan-3-yloxymethyl)-5-methyloxane is sourced from PubChem (CID 91145508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).