2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane

C22H34O6 — CID 10475739

IUPAC2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
SMILESC[C@@H](COc1ccccc1OC[C@H](C)OC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C22H34O6/c1-17(27-21-11-5-7-13-23-21)15-25-19-9-3-4-10-20(19)26-16-18(2)28-22-12-6-8-14-24-22/h3-4,9-10,17-18,21-22H,5-8,11-16H2,1-2H3/t17-,18-,21?,22?/m0/s1
InChIKeyRNHGOBHSXXFFFK-HTAFUYNTSA-N
MW394.51 g/mol
LogP4.31
Rot. Bonds10

About 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane

2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane (PubChem CID 10475739) has the molecular formula C22H34O6 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
PubChem CID10475739
Molecular FormulaC22H34O6
Molecular Weight394.51 g/mol
Exact Mass394.24
IUPAC Name2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
SMILESC[C@@H](COc1ccccc1OC[C@H](C)OC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C22H34O6/c1-17(27-21-11-5-7-13-23-21)15-25-19-9-3-4-10-20(19)26-16-18(2)28-22-12-6-8-14-24-22/h3-4,9-10,17-18,21-22H,5-8,11-16H2,1-2H3/t17-,18-,21?,22?/m0/s1
InChIKeyRNHGOBHSXXFFFK-HTAFUYNTSA-N
XLogP4.31
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane with MolForge

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Related Compounds

2-[(2S)-2-(oxan-2-yloxy)propoxy]benzonitrile
CID 175791848
2-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]oxane
CID 174209322
2-butan-2-yloxyoxane
CID 559028
2-[(1R)-1-(2-bromophenyl)ethoxy]oxane
CID 59069780
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane
CID 14697180
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
N-methyl-1-[2-(oxan-2-yloxy)propoxy]propan-2-amine
CID 146517545
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane?
The IUPAC name of 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane (CID 10475739) is 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane.
What is the SMILES notation for 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane?
The canonical SMILES for 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane is C[C@@H](COc1ccccc1OC[C@H](C)OC1CCCCO1)OC1CCCCO1.
What is the InChIKey of 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane?
The InChIKey is RNHGOBHSXXFFFK-HTAFUYNTSA-N. The full InChI is InChI=1S/C22H34O6/c1-17(27-21-11-5-7-13-23-21)15-25-19-9-3-4-10-20(19)26-16-18(2)28-22-12-6-8-14-24-22/h3-4,9-10,17-18,21-22H,5-8,11-16H2,1-2H3/t17-,18-,21?,22?/m0/s1.
What are the key properties of 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane?
2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane has a molecular weight of 394.51 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane is sourced from PubChem (CID 10475739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).