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

C16H32O5 — CID 6455190

IUPAC2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCCCCCCC1COCCOCCOCCOCCO1
InChIInChI=1S/C16H32O5/c1-2-3-4-5-6-16-15-20-12-11-18-8-7-17-9-10-19-13-14-21-16/h16H,2-15H2,1H3
InChIKeyRANNPNXRABIJJU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.42
Rot. Bonds5

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

2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 6455190) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID6455190
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane
SMILESCCCCCCC1COCCOCCOCCOCCO1
InChIInChI=1S/C16H32O5/c1-2-3-4-5-6-16-15-20-12-11-18-8-7-17-9-10-19-13-14-21-16/h16H,2-15H2,1H3
InChIKeyRANNPNXRABIJJU-UHFFFAOYSA-N
XLogP2.42
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.42
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-hexyl-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane (CID 6455190) is 2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane is CCCCCCC1COCCOCCOCCOCCO1.
What is the InChIKey of 2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is RANNPNXRABIJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c1-2-3-4-5-6-16-15-20-12-11-18-8-7-17-9-10-19-13-14-21-16/h16H,2-15H2,1H3.
What are the key properties of 2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane?
2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 304.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 6455190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).