3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane

C22H44O2 — CID 87295740

IUPAC3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane
SMILESC=CCOCCC(CC)(CCCCCCCCCCCCC)OC
InChIInChI=1S/C22H44O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-22(7-3,23-4)19-21-24-20-6-2/h6H,2,5,7-21H2,1,3-4H3
InChIKeyOMPMZSAECOJLBO-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.08
Rot. Bonds19

About 3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane

3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane (PubChem CID 87295740) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane
PubChem CID87295740
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane
SMILESC=CCOCCC(CC)(CCCCCCCCCCCCC)OC
InChIInChI=1S/C22H44O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-22(7-3,23-4)19-21-24-20-6-2/h6H,2,5,7-21H2,1,3-4H3
InChIKeyOMPMZSAECOJLBO-UHFFFAOYSA-N
XLogP7.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-3-methoxydecane
CID 89190150
11-methoxy-11-nonyltetracosane
CID 159441841
10-methoxy-10-propylicosane
CID 158279749
1-prop-2-enoxypentane;zirconium
CID 175164581
10-methoxy-10-propyltricosane
CID 159618690
3-(8-fluorooctoxymethyl)-3-methoxyhexadecane
CID 139725365
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
oxirene;1-prop-2-enoxypentane
CID 175269271
3-butoxy-3-ethyloctane
CID 156635634
3-ethyl-3-hydroperoxytridecane
CID 140733477
formic acid;1-prop-2-enoxypentane
CID 174234349
disodium;1-prop-2-enoxydodecane;sulfate
CID 173057156

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane?
The IUPAC name of 3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane (CID 87295740) is 3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane.
What is the SMILES notation for 3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane?
The canonical SMILES for 3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane is C=CCOCCC(CC)(CCCCCCCCCCCCC)OC.
What is the InChIKey of 3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane?
The InChIKey is OMPMZSAECOJLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-22(7-3,23-4)19-21-24-20-6-2/h6H,2,5,7-21H2,1,3-4H3.
What are the key properties of 3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane?
3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane has a molecular weight of 340.59 g/mol, XLogP of 7.08, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-prop-2-enoxyhexadecane is sourced from PubChem (CID 87295740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).