1-[1-(4-ethenylphenoxy)ethoxy]adamantane

C20H26O2 — CID 59227044

IUPAC1-[1-(4-ethenylphenoxy)ethoxy]adamantane
SMILESC=Cc1ccc(OC(C)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26O2/c1-3-15-4-6-19(7-5-15)21-14(2)22-20-11-16-8-17(12-20)10-18(9-16)13-20/h3-7,14,16-18H,1,8-13H2,2H3
InChIKeyLNOAGVRWCUGEPH-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.04
Rot. Bonds5

About 1-[1-(4-ethenylphenoxy)ethoxy]adamantane

1-[1-(4-ethenylphenoxy)ethoxy]adamantane (PubChem CID 59227044) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[1-(4-ethenylphenoxy)ethoxy]adamantane.

Molecular Properties

Compound Name1-[1-(4-ethenylphenoxy)ethoxy]adamantane
PubChem CID59227044
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-[1-(4-ethenylphenoxy)ethoxy]adamantane
SMILESC=Cc1ccc(OC(C)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26O2/c1-3-15-4-6-19(7-5-15)21-14(2)22-20-11-16-8-17(12-20)10-18(9-16)13-20/h3-7,14,16-18H,1,8-13H2,2H3
InChIKeyLNOAGVRWCUGEPH-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethenylphenoxy)ethoxy]adamantane?
The IUPAC name of 1-[1-(4-ethenylphenoxy)ethoxy]adamantane (CID 59227044) is 1-[1-(4-ethenylphenoxy)ethoxy]adamantane.
What is the SMILES notation for 1-[1-(4-ethenylphenoxy)ethoxy]adamantane?
The canonical SMILES for 1-[1-(4-ethenylphenoxy)ethoxy]adamantane is C=Cc1ccc(OC(C)OC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-[1-(4-ethenylphenoxy)ethoxy]adamantane?
The InChIKey is LNOAGVRWCUGEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-15-4-6-19(7-5-15)21-14(2)22-20-11-16-8-17(12-20)10-18(9-16)13-20/h3-7,14,16-18H,1,8-13H2,2H3.
What are the key properties of 1-[1-(4-ethenylphenoxy)ethoxy]adamantane?
1-[1-(4-ethenylphenoxy)ethoxy]adamantane has a molecular weight of 298.43 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethenylphenoxy)ethoxy]adamantane is sourced from PubChem (CID 59227044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).