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

C22H44O5 — CID 12597911

IUPAC2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCCCCCCCCCCCCC1COCCOCCOCCOCCO1
InChIInChI=1S/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-22-21-26-18-17-24-14-13-23-15-16-25-19-20-27-22/h22H,2-21H2,1H3
InChIKeyDFWQSNWJMXKBJS-UHFFFAOYSA-N
MW388.59 g/mol
LogP4.76
Rot. Bonds11

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

2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 12597911) has the molecular formula C22H44O5 and a molecular weight of 388.59 g/mol. Its IUPAC name is 2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID12597911
Molecular FormulaC22H44O5
Molecular Weight388.59 g/mol
Exact Mass388.32
IUPAC Name2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCCCCCCCCCCCCC1COCCOCCOCCOCCO1
InChIInChI=1S/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-22-21-26-18-17-24-14-13-23-15-16-25-19-20-27-22/h22H,2-21H2,1H3
InChIKeyDFWQSNWJMXKBJS-UHFFFAOYSA-N
XLogP4.76
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.59
LogP ≤ 54.76
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-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane (CID 12597911) is 2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane is CCCCCCCCCCCCC1COCCOCCOCCOCCO1.
What is the InChIKey of 2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is DFWQSNWJMXKBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-22-21-26-18-17-24-14-13-23-15-16-25-19-20-27-22/h22H,2-21H2,1H3.
What are the key properties of 2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane?
2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 388.59 g/mol, XLogP of 4.76, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 12597911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).