1-[1-(1-adamantyl)ethenyl]adamantane

C22H32 — CID 14316817

IUPAC1-[1-(1-adamantyl)ethenyl]adamantane
SMILESC=C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32/c1-14(21-8-15-2-16(9-21)4-17(3-15)10-21)22-11-18-5-19(12-22)7-20(6-18)13-22/h15-20H,1-13H2
InChIKeySBHKVQHASBMORC-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.98
Rot. Bonds2

About 1-[1-(1-adamantyl)ethenyl]adamantane

1-[1-(1-adamantyl)ethenyl]adamantane (PubChem CID 14316817) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[1-(1-adamantyl)ethenyl]adamantane.

Molecular Properties

Compound Name1-[1-(1-adamantyl)ethenyl]adamantane
PubChem CID14316817
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name1-[1-(1-adamantyl)ethenyl]adamantane
SMILESC=C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32/c1-14(21-8-15-2-16(9-21)4-17(3-15)10-21)22-11-18-5-19(12-22)7-20(6-18)13-22/h15-20H,1-13H2
InChIKeySBHKVQHASBMORC-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3,3-trifluoroprop-1-en-2-yl)adamantane
CID 11310770
1-(1-adamantyl)-2-methylprop-2-en-1-one
CID 67607526
bis(1-adamantyl)methanimine
CID 87876115
1-(1-adamantyl)ethylidenezirconium(2+)
CID 87775004
adamantane-1-carboxylic acid;cobalt
CID 174948331
adamantane-1-carboxylic acid;hydrobromide
CID 175234233
1-adamantyl-[2,3-bis(adamantane-1-carbonyl)cyclopropyl]methanone
CID 10929489
adamantane-1-carboxamide
CID 21686
tetrakis(adamantane-1-carboxylate);hafnium(4+)
CID 158683841
1-[1-adamantyl(diazo)methyl]adamantane
CID 12035684
tetrakis(adamantane-1-carboxylate);zirconium(4+)
CID 173130566
5-(1-methoxyethenyl)adamantan-2-ol
CID 118457316

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-adamantyl)ethenyl]adamantane?
The IUPAC name of 1-[1-(1-adamantyl)ethenyl]adamantane (CID 14316817) is 1-[1-(1-adamantyl)ethenyl]adamantane.
What is the SMILES notation for 1-[1-(1-adamantyl)ethenyl]adamantane?
The canonical SMILES for 1-[1-(1-adamantyl)ethenyl]adamantane is C=C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[1-(1-adamantyl)ethenyl]adamantane?
The InChIKey is SBHKVQHASBMORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-14(21-8-15-2-16(9-21)4-17(3-15)10-21)22-11-18-5-19(12-22)7-20(6-18)13-22/h15-20H,1-13H2.
What are the key properties of 1-[1-(1-adamantyl)ethenyl]adamantane?
1-[1-(1-adamantyl)ethenyl]adamantane has a molecular weight of 296.50 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-adamantyl)ethenyl]adamantane is sourced from PubChem (CID 14316817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).