2,3,4-trimethoxy-5-methyl-6-propyloxane

C12H24O4 — CID 18684532

IUPAC2,3,4-trimethoxy-5-methyl-6-propyloxane
SMILESCCCC1OC(OC)C(OC)C(OC)C1C
InChIInChI=1S/C12H24O4/c1-6-7-9-8(2)10(13-3)11(14-4)12(15-5)16-9/h8-12H,6-7H2,1-5H3
InChIKeyQIWDGWUZNHZAQZ-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.82
Rot. Bonds5

About 2,3,4-trimethoxy-5-methyl-6-propyloxane

2,3,4-trimethoxy-5-methyl-6-propyloxane (PubChem CID 18684532) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2,3,4-trimethoxy-5-methyl-6-propyloxane.

Molecular Properties

Compound Name2,3,4-trimethoxy-5-methyl-6-propyloxane
PubChem CID18684532
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2,3,4-trimethoxy-5-methyl-6-propyloxane
SMILESCCCC1OC(OC)C(OC)C(OC)C1C
InChIInChI=1S/C12H24O4/c1-6-7-9-8(2)10(13-3)11(14-4)12(15-5)16-9/h8-12H,6-7H2,1-5H3
InChIKeyQIWDGWUZNHZAQZ-UHFFFAOYSA-N
XLogP1.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethylhexyl alpha-D-glucopyranoside
CID 24848590
methyl-4,6-dideoxy-2,3-O-isopropylidene-4-methylpyranoside
CID 194716
2-Cyclohexylethyl alpha-D-mannopyranoside
CID 11197033
(2S,3S,6R,11R)-3,11-dimethyl-2-(oxan-2-yloxymethyl)-1,7-dioxaspiro[5.5]undecane
CID 12041355
(2S,3S,6R,11R)-2-(methoxymethoxymethyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecane
CID 44303223
(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-propyloxane-3,4-diol
CID 46885408
(2R,3S,4R,5R,6S)-6-cyclohexyloxy-2-(hydroxymethyl)-5-(2-hydroxypropyl)oxane-3,4-diol
CID 46885409
Methyl-6-deoxy-2,3-isopropylidene-4-methylene lyxo-pyranoside
CID 194715
6-Ethyl-2-methoxy-5-methyloxane-3,4-diol
CID 59347348
[(3R,4S,5R,6R)-2,3-diacetyloxy-6-ethyl-5-methyloxan-4-yl] acetate
CID 117714136
(2R,5S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 138980438
(3R,4S,5S,6R)-2-(2-ethylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 18606871

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-5-methyl-6-propyloxane?
The IUPAC name of 2,3,4-trimethoxy-5-methyl-6-propyloxane (CID 18684532) is 2,3,4-trimethoxy-5-methyl-6-propyloxane.
What is the SMILES notation for 2,3,4-trimethoxy-5-methyl-6-propyloxane?
The canonical SMILES for 2,3,4-trimethoxy-5-methyl-6-propyloxane is CCCC1OC(OC)C(OC)C(OC)C1C.
What is the InChIKey of 2,3,4-trimethoxy-5-methyl-6-propyloxane?
The InChIKey is QIWDGWUZNHZAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-6-7-9-8(2)10(13-3)11(14-4)12(15-5)16-9/h8-12H,6-7H2,1-5H3.
What are the key properties of 2,3,4-trimethoxy-5-methyl-6-propyloxane?
2,3,4-trimethoxy-5-methyl-6-propyloxane has a molecular weight of 232.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-5-methyl-6-propyloxane is sourced from PubChem (CID 18684532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).