3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane

C24H46O12 — CID 14004848

IUPAC3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane
SMILESC1COCCOCCOCC2OCCOCCOCCOCCOCCOC2COCCOCCO1
InChIInChI=1S/C24H46O12/c1-2-26-6-8-30-14-16-34-22-24-23(21-33-15-13-29-7-5-25-1)35-19-17-31-11-9-27-3-4-28-10-12-32-18-20-36-24/h23-24H,1-22H2
InChIKeyZUMHVAPFJBQWES-UHFFFAOYSA-N
MW526.62 g/mol
LogP-0.05
Rot. Bonds

About 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane

3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane (PubChem CID 14004848) has the molecular formula C24H46O12 and a molecular weight of 526.62 g/mol. Its IUPAC name is 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane.

Molecular Properties

Compound Name3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane
PubChem CID14004848
Molecular FormulaC24H46O12
Molecular Weight526.62 g/mol
Exact Mass526.30
IUPAC Name3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane
SMILESC1COCCOCCOCC2OCCOCCOCCOCCOCCOC2COCCOCCO1
InChIInChI=1S/C24H46O12/c1-2-26-6-8-30-14-16-34-22-24-23(21-33-15-13-29-7-5-25-1)35-19-17-31-11-9-27-3-4-28-10-12-32-18-20-36-24/h23-24H,1-22H2
InChIKeyZUMHVAPFJBQWES-UHFFFAOYSA-N
XLogP-0.05
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.62
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane?
The IUPAC name of 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane (CID 14004848) is 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane.
What is the SMILES notation for 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane?
The canonical SMILES for 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane is C1COCCOCCOCC2OCCOCCOCCOCCOCCOC2COCCOCCO1.
What is the InChIKey of 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane?
The InChIKey is ZUMHVAPFJBQWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O12/c1-2-26-6-8-30-14-16-34-22-24-23(21-33-15-13-29-7-5-25-1)35-19-17-31-11-9-27-3-4-28-10-12-32-18-20-36-24/h23-24H,1-22H2.
What are the key properties of 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane?
3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane has a molecular weight of 526.62 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxabicyclo[18.16.0]hexatriacontane is sourced from PubChem (CID 14004848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).