4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane

C22H42O2 — CID 126727084

IUPAC4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane
SMILESC=COCC(C)(CCC)CCCCCCC(C)(CCC)COC=C
InChIInChI=1S/C22H42O2/c1-7-15-21(5,19-23-9-3)17-13-11-12-14-18-22(6,16-8-2)20-24-10-4/h9-10H,3-4,7-8,11-20H2,1-2,5-6H3
InChIKeyZDYNVPVFDHUVPY-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.26
Rot. Bonds17

About 4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane

4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane (PubChem CID 126727084) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane.

Molecular Properties

Compound Name4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane
PubChem CID126727084
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane
SMILESC=COCC(C)(CCC)CCCCCCC(C)(CCC)COC=C
InChIInChI=1S/C22H42O2/c1-7-15-21(5,19-23-9-3)17-13-11-12-14-18-22(6,16-8-2)20-24-10-4/h9-10H,3-4,7-8,11-20H2,1-2,5-6H3
InChIKeyZDYNVPVFDHUVPY-UHFFFAOYSA-N
XLogP7.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.26
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 4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane?
The IUPAC name of 4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane (CID 126727084) is 4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane.
What is the SMILES notation for 4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane?
The canonical SMILES for 4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane is C=COCC(C)(CCC)CCCCCCC(C)(CCC)COC=C.
What is the InChIKey of 4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane?
The InChIKey is ZDYNVPVFDHUVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-7-15-21(5,19-23-9-3)17-13-11-12-14-18-22(6,16-8-2)20-24-10-4/h9-10H,3-4,7-8,11-20H2,1-2,5-6H3.
What are the key properties of 4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane?
4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane has a molecular weight of 338.58 g/mol, XLogP of 7.26, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-bis(ethenoxymethyl)-4,11-dimethyltetradecane is sourced from PubChem (CID 126727084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).