2-decyl-1,4,7,10,13-pentaoxacyclopentadecane

C20H40O5 — CID 12597910

IUPAC2-decyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCCCCCCCCCCC1COCCOCCOCCOCCO1
InChIInChI=1S/C20H40O5/c1-2-3-4-5-6-7-8-9-10-20-19-24-16-15-22-12-11-21-13-14-23-17-18-25-20/h20H,2-19H2,1H3
InChIKeyOJJIHHOHJLKUBM-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.98
Rot. Bonds9

About 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane

2-decyl-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 12597910) has the molecular formula C20H40O5 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-decyl-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID12597910
Molecular FormulaC20H40O5
Molecular Weight360.54 g/mol
Exact Mass360.29
IUPAC Name2-decyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCCCCCCCCCCC1COCCOCCOCCOCCO1
InChIInChI=1S/C20H40O5/c1-2-3-4-5-6-7-8-9-10-20-19-24-16-15-22-12-11-21-13-14-23-17-18-25-20/h20H,2-19H2,1H3
InChIKeyOJJIHHOHJLKUBM-UHFFFAOYSA-N
XLogP3.98
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane (CID 12597910) is 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane is CCCCCCCCCCC1COCCOCCOCCOCCO1.
What is the InChIKey of 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is OJJIHHOHJLKUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5/c1-2-3-4-5-6-7-8-9-10-20-19-24-16-15-22-12-11-21-13-14-23-17-18-25-20/h20H,2-19H2,1H3.
What are the key properties of 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane?
2-decyl-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 360.54 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 12597910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).