1-but-3-enoxyhexadecane

C20H40O — CID 19866525

IUPAC1-but-3-enoxyhexadecane
SMILESC=CCCOCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-21-19-6-4-2/h4H,2-3,5-20H2,1H3
InChIKeyJKRXOOLIMQWRFO-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.06
Rot. Bonds18

About 1-but-3-enoxyhexadecane

1-but-3-enoxyhexadecane (PubChem CID 19866525) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-but-3-enoxyhexadecane.

Molecular Properties

Compound Name1-but-3-enoxyhexadecane
PubChem CID19866525
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name1-but-3-enoxyhexadecane
SMILESC=CCCOCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-21-19-6-4-2/h4H,2-3,5-20H2,1H3
InChIKeyJKRXOOLIMQWRFO-UHFFFAOYSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxyhexadecane?
The IUPAC name of 1-but-3-enoxyhexadecane (CID 19866525) is 1-but-3-enoxyhexadecane.
What is the SMILES notation for 1-but-3-enoxyhexadecane?
The canonical SMILES for 1-but-3-enoxyhexadecane is C=CCCOCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-but-3-enoxyhexadecane?
The InChIKey is JKRXOOLIMQWRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-21-19-6-4-2/h4H,2-3,5-20H2,1H3.
What are the key properties of 1-but-3-enoxyhexadecane?
1-but-3-enoxyhexadecane has a molecular weight of 296.54 g/mol, XLogP of 7.06, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxyhexadecane is sourced from PubChem (CID 19866525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).