2,3,4,5-tetramethoxy-2,5-dimethylhexane

C12H26O4 — CID 20759498

IUPAC2,3,4,5-tetramethoxy-2,5-dimethylhexane
SMILESCOC(C(OC)C(C)(C)OC)C(C)(C)OC
InChIInChI=1S/C12H26O4/c1-11(2,15-7)9(13-5)10(14-6)12(3,4)16-8/h9-10H,1-8H3
InChIKeyUABVUFPKQRUDOC-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.87
Rot. Bonds7

About 2,3,4,5-tetramethoxy-2,5-dimethylhexane

2,3,4,5-tetramethoxy-2,5-dimethylhexane (PubChem CID 20759498) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2,3,4,5-tetramethoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name2,3,4,5-tetramethoxy-2,5-dimethylhexane
PubChem CID20759498
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2,3,4,5-tetramethoxy-2,5-dimethylhexane
SMILESCOC(C(OC)C(C)(C)OC)C(C)(C)OC
InChIInChI=1S/C12H26O4/c1-11(2,15-7)9(13-5)10(14-6)12(3,4)16-8/h9-10H,1-8H3
InChIKeyUABVUFPKQRUDOC-UHFFFAOYSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

Oxirane, ((1,1-dimethylbutoxy)methyl)
CID 142603
2-(2-Fluoroethoxy)-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexane
CID 166880380
(3R,4R)-2,5-dimethoxy-2,5-dimethyl-hexane-3,4-diol
CID 11218000
2,3,5-Tris(tert-butylperoxy)-2,5-dimethylhexane
CID 17858746
2,3-Dimethoxy-5-methylhexane
CID 18667897
1,2,3-Trimethoxy-4-methylpentane
CID 23384640
3-Ethyl-3,4-dimethoxyhexane
CID 57003248
1,2-Diethoxy-4-(2-methoxyethoxy)-4-methylpentane
CID 57228754
2,3,4,5-Tetramethoxyhexane
CID 58807580
(2R,3S)-1,2,3-trimethoxy-4-methylpentane
CID 59039333
(2S)-1,2,3-trimethoxy-4-methylpentane
CID 59039408
(2R)-1,2,3-trimethoxy-4-methylpentane
CID 59039418

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethoxy-2,5-dimethylhexane?
The IUPAC name of 2,3,4,5-tetramethoxy-2,5-dimethylhexane (CID 20759498) is 2,3,4,5-tetramethoxy-2,5-dimethylhexane.
What is the SMILES notation for 2,3,4,5-tetramethoxy-2,5-dimethylhexane?
The canonical SMILES for 2,3,4,5-tetramethoxy-2,5-dimethylhexane is COC(C(OC)C(C)(C)OC)C(C)(C)OC.
What is the InChIKey of 2,3,4,5-tetramethoxy-2,5-dimethylhexane?
The InChIKey is UABVUFPKQRUDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-11(2,15-7)9(13-5)10(14-6)12(3,4)16-8/h9-10H,1-8H3.
What are the key properties of 2,3,4,5-tetramethoxy-2,5-dimethylhexane?
2,3,4,5-tetramethoxy-2,5-dimethylhexane has a molecular weight of 234.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethoxy-2,5-dimethylhexane is sourced from PubChem (CID 20759498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).