(2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane

C20H38O10 — CID 13129323

IUPAC(2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane
SMILESC1COCCOC[C@@H]([C@@H]2COCCOCCOCCOCCO2)OCCOCCO1
InChIInChI=1S/C20H38O10/c1-3-23-9-11-27-17-19(29-15-13-25-7-5-21-1)20-18-28-12-10-24-4-2-22-6-8-26-14-16-30-20/h19-20H,1-18H2/t19-,20-/m0/s1
InChIKeyWTQWBJBCBVHRDF-PMACEKPBSA-N
MW438.51 g/mol
LogP-0.08
Rot. Bonds1

About (2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane

(2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 13129323) has the molecular formula C20H38O10 and a molecular weight of 438.51 g/mol. Its IUPAC name is (2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name(2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID13129323
Molecular FormulaC20H38O10
Molecular Weight438.51 g/mol
Exact Mass438.25
IUPAC Name(2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane
SMILESC1COCCOC[C@@H]([C@@H]2COCCOCCOCCOCCO2)OCCOCCO1
InChIInChI=1S/C20H38O10/c1-3-23-9-11-27-17-19(29-15-13-25-7-5-21-1)20-18-28-12-10-24-4-2-22-6-8-26-14-16-30-20/h19-20H,1-18H2/t19-,20-/m0/s1
InChIKeyWTQWBJBCBVHRDF-PMACEKPBSA-N
XLogP-0.08
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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CID 15720666
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CID 135274589
[1-[3,4-Bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite
CID 135274590
2-[1-(2-Fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite
CID 153290233
2-(1,4,7,10,13-Pentaoxacyclopentadec-2-yl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 552595
(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
1,4,7,10,13,16,19,22-Octaoxacyclopentacosane
CID 56616647
1,4,8,12,16,19,23,27-Octaoxacyclotriacontane
CID 90875685
3-(2-Methoxyethoxymethyl)-16-methyl-1,4,7,10,13-pentaoxacyclohexadecane
CID 91034449
1,4,7,11,14,18,21,24,28,31-Decaoxacyclotetratriacontane
CID 91049380
2,5,8,11,16,19,22,25-Octaoxahexacosane
CID 129740022
27-Methyl-2,5,8,11,14,17,20,23,26-nonaoxaoctacosane
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of (2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane (CID 13129323) is (2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for (2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for (2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane is C1COCCOC[C@@H]([C@@H]2COCCOCCOCCOCCO2)OCCOCCO1.
What is the InChIKey of (2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is WTQWBJBCBVHRDF-PMACEKPBSA-N. The full InChI is InChI=1S/C20H38O10/c1-3-23-9-11-27-17-19(29-15-13-25-7-5-21-1)20-18-28-12-10-24-4-2-22-6-8-26-14-16-30-20/h19-20H,1-18H2/t19-,20-/m0/s1.
What are the key properties of (2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane?
(2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 438.51 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-1,4,7,10,13-pentaoxacyclopentadec-2-yl]-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 13129323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).