2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane

C26H52O8 — CID 122553688

IUPAC2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane
SMILESCCCCCCCCCCC1COCCOCCOCCOCCOCCOCCOCCO1
InChIInChI=1S/C26H52O8/c1-2-3-4-5-6-7-8-9-10-26-25-33-22-21-31-18-17-29-14-13-27-11-12-28-15-16-30-19-20-32-23-24-34-26/h26H,2-25H2,1H3
InChIKeyPZJFJWCZHOYCMR-UHFFFAOYSA-N
MW492.69 g/mol
LogP4.03
Rot. Bonds9

About 2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane

2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane (PubChem CID 122553688) has the molecular formula C26H52O8 and a molecular weight of 492.69 g/mol. Its IUPAC name is 2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane.

Molecular Properties

Compound Name2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane
PubChem CID122553688
Molecular FormulaC26H52O8
Molecular Weight492.69 g/mol
Exact Mass492.37
IUPAC Name2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane
SMILESCCCCCCCCCCC1COCCOCCOCCOCCOCCOCCOCCO1
InChIInChI=1S/C26H52O8/c1-2-3-4-5-6-7-8-9-10-26-25-33-22-21-31-18-17-29-14-13-27-11-12-28-15-16-30-19-20-32-23-24-34-26/h26H,2-25H2,1H3
InChIKeyPZJFJWCZHOYCMR-UHFFFAOYSA-N
XLogP4.03
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.69
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-pentadecyl-1,4-dioxane
CID 150124188
2-hexadecyloxirane;oxirane
CID 175319175
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;tetradecane
CID 174899291
(17-dodecyl-1,4,7,10,13,16,19,22-octaoxacyclotetracos-2-yl)methyl hexadecanoate
CID 164608718
(2R)-2-pentyloxirane
CID 11147691
N-[[9-[(hexylamino)methyl]-1,4,7,10,13-pentaoxacyclopentadec-2-yl]methyl]hexan-1-amine
CID 12838862

Frequently Asked Questions

What is the IUPAC name of 2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane?
The IUPAC name of 2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane (CID 122553688) is 2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane.
What is the SMILES notation for 2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane?
The canonical SMILES for 2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane is CCCCCCCCCCC1COCCOCCOCCOCCOCCOCCOCCO1.
What is the InChIKey of 2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane?
The InChIKey is PZJFJWCZHOYCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O8/c1-2-3-4-5-6-7-8-9-10-26-25-33-22-21-31-18-17-29-14-13-27-11-12-28-15-16-30-19-20-32-23-24-34-26/h26H,2-25H2,1H3.
What are the key properties of 2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane?
2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane has a molecular weight of 492.69 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1,4,7,10,13,16,19,22-octaoxacyclotetracosane is sourced from PubChem (CID 122553688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).