2,2-bis(ethenyl)adamantane

C14H20 — CID 15359287

IUPAC2,2-bis(ethenyl)adamantane
SMILESC=CC1(C=C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20/c1-3-14(4-2)12-6-10-5-11(8-12)9-13(14)7-10/h3-4,10-13H,1-2,5-9H2
InChIKeyLLEGXONEYCCKNP-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.80
Rot. Bonds2

About 2,2-bis(ethenyl)adamantane

2,2-bis(ethenyl)adamantane (PubChem CID 15359287) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2,2-bis(ethenyl)adamantane.

Molecular Properties

Compound Name2,2-bis(ethenyl)adamantane
PubChem CID15359287
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name2,2-bis(ethenyl)adamantane
SMILESC=CC1(C=C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20/c1-3-14(4-2)12-6-10-5-11(8-12)9-13(14)7-10/h3-4,10-13H,1-2,5-9H2
InChIKeyLLEGXONEYCCKNP-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2-bis(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

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethenyl)adamantane?
The IUPAC name of 2,2-bis(ethenyl)adamantane (CID 15359287) is 2,2-bis(ethenyl)adamantane.
What is the SMILES notation for 2,2-bis(ethenyl)adamantane?
The canonical SMILES for 2,2-bis(ethenyl)adamantane is C=CC1(C=C)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2,2-bis(ethenyl)adamantane?
The InChIKey is LLEGXONEYCCKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-14(4-2)12-6-10-5-11(8-12)9-13(14)7-10/h3-4,10-13H,1-2,5-9H2.
What are the key properties of 2,2-bis(ethenyl)adamantane?
2,2-bis(ethenyl)adamantane has a molecular weight of 188.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethenyl)adamantane is sourced from PubChem (CID 15359287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).