1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane

C28H50O — CID 57049237

IUPAC1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane
SMILESC=CC1(OC2(C=C)CCCCCCCCCCC2)CCCCCCCCCCC1
InChIInChI=1S/C28H50O/c1-3-27(23-19-15-11-7-5-8-12-16-20-24-27)29-28(4-2)25-21-17-13-9-6-10-14-18-22-26-28/h3-4H,1-2,5-26H2
InChIKeyIAMXRZCIXZEUCB-UHFFFAOYSA-N
MW402.71 g/mol
LogP9.46
Rot. Bonds4

About 1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane

1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane (PubChem CID 57049237) has the molecular formula C28H50O and a molecular weight of 402.71 g/mol. Its IUPAC name is 1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane.

Molecular Properties

Compound Name1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane
PubChem CID57049237
Molecular FormulaC28H50O
Molecular Weight402.71 g/mol
Exact Mass402.39
IUPAC Name1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane
SMILESC=CC1(OC2(C=C)CCCCCCCCCCC2)CCCCCCCCCCC1
InChIInChI=1S/C28H50O/c1-3-27(23-19-15-11-7-5-8-12-16-20-24-27)29-28(4-2)25-21-17-13-9-6-10-14-18-22-26-28/h3-4H,1-2,5-26H2
InChIKeyIAMXRZCIXZEUCB-UHFFFAOYSA-N
XLogP9.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.71
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane?
The IUPAC name of 1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane (CID 57049237) is 1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane.
What is the SMILES notation for 1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane?
The canonical SMILES for 1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane is C=CC1(OC2(C=C)CCCCCCCCCCC2)CCCCCCCCCCC1.
What is the InChIKey of 1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane?
The InChIKey is IAMXRZCIXZEUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O/c1-3-27(23-19-15-11-7-5-8-12-16-20-24-27)29-28(4-2)25-21-17-13-9-6-10-14-18-22-26-28/h3-4H,1-2,5-26H2.
What are the key properties of 1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane?
1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane has a molecular weight of 402.71 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-(1-ethenylcyclododecyl)oxycyclododecane is sourced from PubChem (CID 57049237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).