2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane

C28H42O — CID 139963498

IUPAC2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane
SMILESCCC1(C=COC=CC2(CC)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H42O/c1-3-27(23-11-19-9-20(13-23)14-24(27)12-19)5-7-29-8-6-28(4-2)25-15-21-10-22(17-25)18-26(28)16-21/h5-8,19-26H,3-4,9-18H2,1-2H3
InChIKeyNVCDUFFKMFFAAT-UHFFFAOYSA-N
MW394.64 g/mol
LogP7.74
Rot. Bonds6

About 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane

2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane (PubChem CID 139963498) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane.

Molecular Properties

Compound Name2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane
PubChem CID139963498
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane
SMILESCCC1(C=COC=CC2(CC)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H42O/c1-3-27(23-11-19-9-20(13-23)14-24(27)12-19)5-7-29-8-6-28(4-2)25-15-21-10-22(17-25)18-26(28)16-21/h5-8,19-26H,3-4,9-18H2,1-2H3
InChIKeyNVCDUFFKMFFAAT-UHFFFAOYSA-N
XLogP7.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane 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

2-ethyl-2-methyladamantane
CID 21349236
magnesium;2-ethyladamantan-2-olate;chloride
CID 141311408
N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine
CID 163518738
2-(4-acetyloxyphenyl)ethenyl 3-(2-ethyl-2-adamantyl)-2-methylprop-2-enoate
CID 91179211
2-ethyladamantane-2-carboxylic acid
CID 18547676
2-(2,2-dimethylbutoxy)-2-ethyladamantane
CID 58195744
2,2-dimethyladamantane;ethane
CID 91483373
(2-ethyl-2-adamantyl) 2-(2-chloroacetyl)oxyacetate
CID 58105934
[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2-methylpropanoate
CID 66819764
(2-ethyl-2-adamantyl)methyl 2,2-dimethylbutanoate
CID 20756315
2-butan-2-yl-2-methoxyadamantane
CID 58385663
ethyl 2-(methylamino)adamantane-2-carboxylate
CID 62778952

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane?
The IUPAC name of 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane (CID 139963498) is 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane.
What is the SMILES notation for 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane?
The canonical SMILES for 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane is CCC1(C=COC=CC2(CC)C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane?
The InChIKey is NVCDUFFKMFFAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-3-27(23-11-19-9-20(13-23)14-24(27)12-19)5-7-29-8-6-28(4-2)25-15-21-10-22(17-25)18-26(28)16-21/h5-8,19-26H,3-4,9-18H2,1-2H3.
What are the key properties of 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane?
2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane has a molecular weight of 394.64 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[2-[2-(2-ethyl-2-adamantyl)ethenoxy]ethenyl]adamantane is sourced from PubChem (CID 139963498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).