5-ethenoxy-13-prop-2-enoxyheptadecane

C22H42O2 — CID 126747600

IUPAC5-ethenoxy-13-prop-2-enoxyheptadecane
SMILESC=CCOC(CCCC)CCCCCCCC(CCCC)OC=C
InChIInChI=1S/C22H42O2/c1-5-9-16-21(23-8-4)18-14-12-11-13-15-19-22(17-10-6-2)24-20-7-3/h7-8,21-22H,3-6,9-20H2,1-2H3
InChIKeyUTEVAEKJZRTTCE-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.20
Rot. Bonds19

About 5-ethenoxy-13-prop-2-enoxyheptadecane

5-ethenoxy-13-prop-2-enoxyheptadecane (PubChem CID 126747600) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 5-ethenoxy-13-prop-2-enoxyheptadecane.

Molecular Properties

Compound Name5-ethenoxy-13-prop-2-enoxyheptadecane
PubChem CID126747600
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name5-ethenoxy-13-prop-2-enoxyheptadecane
SMILESC=CCOC(CCCC)CCCCCCCC(CCCC)OC=C
InChIInChI=1S/C22H42O2/c1-5-9-16-21(23-8-4)18-14-12-11-13-15-19-22(17-10-6-2)24-20-7-3/h7-8,21-22H,3-6,9-20H2,1-2H3
InChIKeyUTEVAEKJZRTTCE-UHFFFAOYSA-N
XLogP7.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.20
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-ethenoxy-13-prop-2-enoxyheptadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-prop-2-enoxydecane
CID 102003307
4-ethenoxyundec-1-ene
CID 101420327
4-ethenoxyheptane
CID 59883029
1,1-bis(prop-2-enoxy)nonane
CID 123908723
5-ethenoxyoctan-1-ol
CID 87185132
3-ethenoxy-1,1,1-trimethoxytridecane
CID 152669941
1,1-bis(ethenoxy)octadecane
CID 19822568
2-prop-2-enoxyheptane
CID 142701865
9-ethoxyoctadecane
CID 87148376
octadecan-8-yl formate
CID 171797323
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
hexatriacontan-18-yl formate
CID 144696165

Frequently Asked Questions

What is the IUPAC name of 5-ethenoxy-13-prop-2-enoxyheptadecane?
The IUPAC name of 5-ethenoxy-13-prop-2-enoxyheptadecane (CID 126747600) is 5-ethenoxy-13-prop-2-enoxyheptadecane.
What is the SMILES notation for 5-ethenoxy-13-prop-2-enoxyheptadecane?
The canonical SMILES for 5-ethenoxy-13-prop-2-enoxyheptadecane is C=CCOC(CCCC)CCCCCCCC(CCCC)OC=C.
What is the InChIKey of 5-ethenoxy-13-prop-2-enoxyheptadecane?
The InChIKey is UTEVAEKJZRTTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-5-9-16-21(23-8-4)18-14-12-11-13-15-19-22(17-10-6-2)24-20-7-3/h7-8,21-22H,3-6,9-20H2,1-2H3.
What are the key properties of 5-ethenoxy-13-prop-2-enoxyheptadecane?
5-ethenoxy-13-prop-2-enoxyheptadecane has a molecular weight of 338.58 g/mol, XLogP of 7.20, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxy-13-prop-2-enoxyheptadecane is sourced from PubChem (CID 126747600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).