1,6,11,16,21,26,31-heptaoxacyclopentatriacontane

C28H56O7 — CID 15446455

IUPAC1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
SMILESC1CCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC1
InChIInChI=1S/C28H56O7/c1-2-16-30-18-5-6-20-32-22-9-10-24-34-26-13-14-28-35-27-12-11-25-33-23-8-7-21-31-19-4-3-17-29-15-1/h1-28H2
InChIKeyLAYFKDOJQNKOFU-UHFFFAOYSA-N
MW504.75 g/mol
LogP5.58
Rot. Bonds

About 1,6,11,16,21,26,31-heptaoxacyclopentatriacontane

1,6,11,16,21,26,31-heptaoxacyclopentatriacontane (PubChem CID 15446455) has the molecular formula C28H56O7 and a molecular weight of 504.75 g/mol. Its IUPAC name is 1,6,11,16,21,26,31-heptaoxacyclopentatriacontane.

Molecular Properties

Compound Name1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
PubChem CID15446455
Molecular FormulaC28H56O7
Molecular Weight504.75 g/mol
Exact Mass504.40
IUPAC Name1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
SMILESC1CCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC1
InChIInChI=1S/C28H56O7/c1-2-16-30-18-5-6-20-32-22-9-10-24-34-26-13-14-28-35-27-12-11-25-33-23-8-7-21-31-19-4-3-17-29-15-1/h1-28H2
InChIKeyLAYFKDOJQNKOFU-UHFFFAOYSA-N
XLogP5.58
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.75
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,6,11,16,21,26,31-heptaoxacyclopentatriacontane?
The IUPAC name of 1,6,11,16,21,26,31-heptaoxacyclopentatriacontane (CID 15446455) is 1,6,11,16,21,26,31-heptaoxacyclopentatriacontane.
What is the SMILES notation for 1,6,11,16,21,26,31-heptaoxacyclopentatriacontane?
The canonical SMILES for 1,6,11,16,21,26,31-heptaoxacyclopentatriacontane is C1CCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOC1.
What is the InChIKey of 1,6,11,16,21,26,31-heptaoxacyclopentatriacontane?
The InChIKey is LAYFKDOJQNKOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O7/c1-2-16-30-18-5-6-20-32-22-9-10-24-34-26-13-14-28-35-27-12-11-25-33-23-8-7-21-31-19-4-3-17-29-15-1/h1-28H2.
What are the key properties of 1,6,11,16,21,26,31-heptaoxacyclopentatriacontane?
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane has a molecular weight of 504.75 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,11,16,21,26,31-heptaoxacyclopentatriacontane is sourced from PubChem (CID 15446455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).