4-(2-adamantylidene)-2,2-dimethyladamantane

C22H32 — CID 86187079

IUPAC4-(2-adamantylidene)-2,2-dimethyladamantane
SMILESCC1(C)C2CC3CC(C2)C(=C2C4CC5CC(C4)CC2C5)C1C3
InChIInChI=1S/C22H32/c1-22(2)18-9-14-8-17(11-18)21(19(22)10-14)20-15-4-12-3-13(6-15)7-16(20)5-12/h12-19H,3-11H2,1-2H3/b21-20-
InChIKeyPIAXCPJZOLHRQD-MRCUWXFGSA-N
MW296.50 g/mol
LogP5.83
Rot. Bonds

About 4-(2-adamantylidene)-2,2-dimethyladamantane

4-(2-adamantylidene)-2,2-dimethyladamantane (PubChem CID 86187079) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-(2-adamantylidene)-2,2-dimethyladamantane.

Molecular Properties

Compound Name4-(2-adamantylidene)-2,2-dimethyladamantane
PubChem CID86187079
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name4-(2-adamantylidene)-2,2-dimethyladamantane
SMILESCC1(C)C2CC3CC(C2)C(=C2C4CC5CC(C4)CC2C5)C1C3
InChIInChI=1S/C22H32/c1-22(2)18-9-14-8-17(11-18)21(19(22)10-14)20-15-4-12-3-13(6-15)7-16(20)5-12/h12-19H,3-11H2,1-2H3/b21-20-
InChIKeyPIAXCPJZOLHRQD-MRCUWXFGSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-(2-adamantylidene)-2,2-dimethyladamantane?
The IUPAC name of 4-(2-adamantylidene)-2,2-dimethyladamantane (CID 86187079) is 4-(2-adamantylidene)-2,2-dimethyladamantane.
What is the SMILES notation for 4-(2-adamantylidene)-2,2-dimethyladamantane?
The canonical SMILES for 4-(2-adamantylidene)-2,2-dimethyladamantane is CC1(C)C2CC3CC(C2)C(=C2C4CC5CC(C4)CC2C5)C1C3.
What is the InChIKey of 4-(2-adamantylidene)-2,2-dimethyladamantane?
The InChIKey is PIAXCPJZOLHRQD-MRCUWXFGSA-N. The full InChI is InChI=1S/C22H32/c1-22(2)18-9-14-8-17(11-18)21(19(22)10-14)20-15-4-12-3-13(6-15)7-16(20)5-12/h12-19H,3-11H2,1-2H3/b21-20-.
What are the key properties of 4-(2-adamantylidene)-2,2-dimethyladamantane?
4-(2-adamantylidene)-2,2-dimethyladamantane has a molecular weight of 296.50 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantylidene)-2,2-dimethyladamantane is sourced from PubChem (CID 86187079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).