(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane

C12H26O4 — CID 59693568

IUPAC(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
SMILESCC[C@H](OC)[C@@H](OC)[C@@H](OC)[C@@H](CC)OC
InChIInChI=1S/C12H26O4/c1-7-9(13-3)11(15-5)12(16-6)10(8-2)14-4/h9-12H,7-8H2,1-6H3/t9-,10+,11+,12-
InChIKeyYWOYYMZXJNLUEN-IWDIQUIJSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds9

About (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane

(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane (PubChem CID 59693568) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane.

Molecular Properties

Compound Name(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
PubChem CID59693568
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
SMILESCC[C@H](OC)[C@@H](OC)[C@@H](OC)[C@@H](CC)OC
InChIInChI=1S/C12H26O4/c1-7-9(13-3)11(15-5)12(16-6)10(8-2)14-4/h9-12H,7-8H2,1-6H3/t9-,10+,11+,12-
InChIKeyYWOYYMZXJNLUEN-IWDIQUIJSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane 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

Cyclododecane, (2-methoxyethoxy)-
CID 174103
Permethylsorbitol
CID 3082166
1,5-Anhydro-2,3,4-tri-O-methyl-L-rhamnitol
CID 6428139
L-Sorbitol permethyl
CID 529421
(2S,3S,4S,5R)-3,4,5-trimethoxy-2-methyloxane
CID 60024087
(2S,5S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044482
1,2,3-Trimethoxyhexane
CID 542413
1,2-Dimethoxyoctane
CID 12950135
1,5-anhydro-2,3,4-tri-O-methyl-D-fucitol
CID 526691
L-Fucitol permethyl
CID 529418
1,2-Dimethoxydodecane
CID 13268748
(2R,3R,4R,5R)-1,2,3,4,5,6-hexamethoxyhexane
CID 90327965

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane?
The IUPAC name of (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane (CID 59693568) is (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane.
What is the SMILES notation for (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane?
The canonical SMILES for (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane is CC[C@H](OC)[C@@H](OC)[C@@H](OC)[C@@H](CC)OC.
What is the InChIKey of (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane?
The InChIKey is YWOYYMZXJNLUEN-IWDIQUIJSA-N. The full InChI is InChI=1S/C12H26O4/c1-7-9(13-3)11(15-5)12(16-6)10(8-2)14-4/h9-12H,7-8H2,1-6H3/t9-,10+,11+,12-.
What are the key properties of (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane?
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane has a molecular weight of 234.34 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane is sourced from PubChem (CID 59693568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).