2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane

C17H34O3 — CID 21304156

IUPAC2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane
SMILESCOCC1(C)OC(C)(C)C(C)(COC)C(C)(C)C1(C)C
InChIInChI=1S/C17H34O3/c1-13(2)14(3,4)17(8,12-19-10)20-15(5,6)16(13,7)11-18-9/h11-12H2,1-10H3
InChIKeyPLNSUYLBWHIMSS-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.91
Rot. Bonds4

About 2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane

2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane (PubChem CID 21304156) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane.

Molecular Properties

Compound Name2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane
PubChem CID21304156
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane
SMILESCOCC1(C)OC(C)(C)C(C)(COC)C(C)(C)C1(C)C
InChIInChI=1S/C17H34O3/c1-13(2)14(3,4)17(8,12-19-10)20-15(5,6)16(13,7)11-18-9/h11-12H2,1-10H3
InChIKeyPLNSUYLBWHIMSS-UHFFFAOYSA-N
XLogP3.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane?
The IUPAC name of 2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane (CID 21304156) is 2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane.
What is the SMILES notation for 2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane?
The canonical SMILES for 2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane is COCC1(C)OC(C)(C)C(C)(COC)C(C)(C)C1(C)C.
What is the InChIKey of 2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane?
The InChIKey is PLNSUYLBWHIMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-13(2)14(3,4)17(8,12-19-10)20-15(5,6)16(13,7)11-18-9/h11-12H2,1-10H3.
What are the key properties of 2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane?
2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane has a molecular weight of 286.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(methoxymethyl)-2,3,3,4,4,5,6,6-octamethyloxane is sourced from PubChem (CID 21304156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).