1,16-bis(ethenoxy)hexadecane

C20H38O2 — CID 19877850

IUPAC1,16-bis(ethenoxy)hexadecane
SMILESC=COCCCCCCCCCCCCCCCCOC=C
InChIInChI=1S/C20H38O2/c1-3-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-4-2/h3-4H,1-2,5-20H2
InChIKeyZQSLXPRUIOSCLQ-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.77
Rot. Bonds19

About 1,16-bis(ethenoxy)hexadecane

1,16-bis(ethenoxy)hexadecane (PubChem CID 19877850) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 1,16-bis(ethenoxy)hexadecane.

Molecular Properties

Compound Name1,16-bis(ethenoxy)hexadecane
PubChem CID19877850
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name1,16-bis(ethenoxy)hexadecane
SMILESC=COCCCCCCCCCCCCCCCCOC=C
InChIInChI=1S/C20H38O2/c1-3-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-4-2/h3-4H,1-2,5-20H2
InChIKeyZQSLXPRUIOSCLQ-UHFFFAOYSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,16-bis(ethenoxy)hexadecane?
The IUPAC name of 1,16-bis(ethenoxy)hexadecane (CID 19877850) is 1,16-bis(ethenoxy)hexadecane.
What is the SMILES notation for 1,16-bis(ethenoxy)hexadecane?
The canonical SMILES for 1,16-bis(ethenoxy)hexadecane is C=COCCCCCCCCCCCCCCCCOC=C.
What is the InChIKey of 1,16-bis(ethenoxy)hexadecane?
The InChIKey is ZQSLXPRUIOSCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-3-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-4-2/h3-4H,1-2,5-20H2.
What are the key properties of 1,16-bis(ethenoxy)hexadecane?
1,16-bis(ethenoxy)hexadecane has a molecular weight of 310.52 g/mol, XLogP of 6.77, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,16-bis(ethenoxy)hexadecane is sourced from PubChem (CID 19877850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).