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

C20H38O2 — CID 134531184

IUPAC4,11-bis(ethenoxy)-4,11-dimethyltetradecane
SMILESC=COC(C)(CCC)CCCCCCC(C)(CCC)OC=C
InChIInChI=1S/C20H38O2/c1-7-15-19(5,21-9-3)17-13-11-12-14-18-20(6,16-8-2)22-10-4/h9-10H,3-4,7-8,11-18H2,1-2,5-6H3
InChIKeyUXTATZPVLHKYLW-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.76
Rot. Bonds15

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

4,11-bis(ethenoxy)-4,11-dimethyltetradecane (PubChem CID 134531184) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 4,11-bis(ethenoxy)-4,11-dimethyltetradecane.

Molecular Properties

Compound Name4,11-bis(ethenoxy)-4,11-dimethyltetradecane
PubChem CID134531184
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name4,11-bis(ethenoxy)-4,11-dimethyltetradecane
SMILESC=COC(C)(CCC)CCCCCCC(C)(CCC)OC=C
InChIInChI=1S/C20H38O2/c1-7-15-19(5,21-9-3)17-13-11-12-14-18-20(6,16-8-2)22-10-4/h9-10H,3-4,7-8,11-18H2,1-2,5-6H3
InChIKeyUXTATZPVLHKYLW-UHFFFAOYSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.76
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(ethenoxy)-4,11-dimethyltetradecane?
The IUPAC name of 4,11-bis(ethenoxy)-4,11-dimethyltetradecane (CID 134531184) is 4,11-bis(ethenoxy)-4,11-dimethyltetradecane.
What is the SMILES notation for 4,11-bis(ethenoxy)-4,11-dimethyltetradecane?
The canonical SMILES for 4,11-bis(ethenoxy)-4,11-dimethyltetradecane is C=COC(C)(CCC)CCCCCCC(C)(CCC)OC=C.
What is the InChIKey of 4,11-bis(ethenoxy)-4,11-dimethyltetradecane?
The InChIKey is UXTATZPVLHKYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-7-15-19(5,21-9-3)17-13-11-12-14-18-20(6,16-8-2)22-10-4/h9-10H,3-4,7-8,11-18H2,1-2,5-6H3.
What are the key properties of 4,11-bis(ethenoxy)-4,11-dimethyltetradecane?
4,11-bis(ethenoxy)-4,11-dimethyltetradecane has a molecular weight of 310.52 g/mol, XLogP of 6.76, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-bis(ethenoxy)-4,11-dimethyltetradecane is sourced from PubChem (CID 134531184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).