1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane

C24H48O10 — CID 91049380

IUPAC1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane
SMILESC1COCCOCCCOCCOCCOCCCOCCOCCCOCCOCCOC1
InChIInChI=1S/C24H48O10/c1-5-25-13-14-26-6-2-10-31-19-23-34-24-20-32-12-4-8-28-16-15-27-7-3-11-30-18-22-33-21-17-29-9-1/h1-24H2
InChIKeyUSMPGGOJHQSCKF-UHFFFAOYSA-N
MW496.64 g/mol
LogP1.73
Rot. Bonds

About 1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane

1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane (PubChem CID 91049380) has the molecular formula C24H48O10 and a molecular weight of 496.64 g/mol. Its IUPAC name is 1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane.

Molecular Properties

Compound Name1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane
PubChem CID91049380
Molecular FormulaC24H48O10
Molecular Weight496.64 g/mol
Exact Mass496.32
IUPAC Name1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane
SMILESC1COCCOCCCOCCOCCOCCCOCCOCCCOCCOCCOC1
InChIInChI=1S/C24H48O10/c1-5-25-13-14-26-6-2-10-31-19-23-34-24-20-32-12-4-8-28-16-15-27-7-3-11-30-18-22-33-21-17-29-9-1/h1-24H2
InChIKeyUSMPGGOJHQSCKF-UHFFFAOYSA-N
XLogP1.73
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane?
The IUPAC name of 1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane (CID 91049380) is 1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane.
What is the SMILES notation for 1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane?
The canonical SMILES for 1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane is C1COCCOCCCOCCOCCOCCCOCCOCCCOCCOCCOC1.
What is the InChIKey of 1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane?
The InChIKey is USMPGGOJHQSCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O10/c1-5-25-13-14-26-6-2-10-31-19-23-34-24-20-32-12-4-8-28-16-15-27-7-3-11-30-18-22-33-21-17-29-9-1/h1-24H2.
What are the key properties of 1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane?
1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane has a molecular weight of 496.64 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,11,14,18,21,24,28,31-decaoxacyclotetratriacontane is sourced from PubChem (CID 91049380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).