(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane

C27H55O9+ — CID 164890094

IUPAC(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane
SMILES[CH2+]OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC
InChIInChI=1S/C27H55O9/c1-11-29-21(3)13-31-23(5)15-33-25(7)17-35-27(9)19-36-26(8)18-34-24(6)16-32-22(4)14-30-20(2)12-28-10/h20-27H,10-19H2,1-9H3/q+1/t20-,21+,22-,23+,24+,25-,26+,27-/m1/s1
InChIKeyJDQWOCVAHKTDJU-DRVCQQSXSA-N
MW523.73 g/mol
LogP4.06
Rot. Bonds25

About (2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane (PubChem CID 164890094) has the molecular formula C27H55O9+ and a molecular weight of 523.73 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane
PubChem CID164890094
Molecular FormulaC27H55O9+
Molecular Weight523.73 g/mol
Exact Mass523.38
IUPAC Name(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane
SMILES[CH2+]OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC
InChIInChI=1S/C27H55O9/c1-11-29-21(3)13-31-23(5)15-33-25(7)17-35-27(9)19-36-26(8)18-34-24(6)16-32-22(4)14-30-20(2)12-28-10/h20-27H,10-19H2,1-9H3/q+1/t20-,21+,22-,23+,24+,25-,26+,27-/m1/s1
InChIKeyJDQWOCVAHKTDJU-DRVCQQSXSA-N
XLogP4.06
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.73
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5,8,11,14,17-Pentaoxaheneicosane
CID 61036
5,8,11,14,17,20-Hexaoxatetracosane
CID 4162575
Silicic acid (H4SiO4), tetrakis(2-methoxy-1-methylethyl) ester
CID 86722
1,2'-Oxydipropanol dimethyl ether
CID 14455226
2,5,8,11,14,17,20,23-Octaoxatetracosane
CID 70932
2,5,8,11,14,17,20,23,26,29-Decaoxatriacontane
CID 119732
2,5,8,11,14,17,20,23,26,29,32-Undecaoxatritriacontane
CID 119713
3,6,9-Trimethyl-2,5,8,11-tetraoxadodecane
CID 15930777
1,2,3-Propanetriol, 1,3-bis(3-pentyl)-2-propyl triether
CID 116180
(2s,5r,8r,11s,14s,17s,21r)-5,8,11,14,17-Pentamethyl-4,7,10,13,16,19-Hexaoxadocosane-2,21-Diol
CID 11963525
2,5,8,11,14,17,20,23,26,29,32,35-Dodecaoxahexatriacontane
CID 5223212
Hexaethyleneglycol diethyl ether
CID 19893137

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane?
The IUPAC name of (2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane (CID 164890094) is (2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane.
What is the SMILES notation for (2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane?
The canonical SMILES for (2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane is [CH2+]OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC.
What is the InChIKey of (2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane?
The InChIKey is JDQWOCVAHKTDJU-DRVCQQSXSA-N. The full InChI is InChI=1S/C27H55O9/c1-11-29-21(3)13-31-23(5)15-33-25(7)17-35-27(9)19-36-26(8)18-34-24(6)16-32-22(4)14-30-20(2)12-28-10/h20-27H,10-19H2,1-9H3/q+1/t20-,21+,22-,23+,24+,25-,26+,27-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane?
(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane has a molecular weight of 523.73 g/mol, XLogP of 4.06, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-ethoxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-1-methoxypropane is sourced from PubChem (CID 164890094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).