2-(1-adamantylmethylidene)adamantane

C21H30 — CID 134979749

IUPAC2-(1-adamantylmethylidene)adamantane
SMILESC(=C1C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30/c1-13-5-18-7-14(1)8-19(6-13)20(18)12-21-9-15-2-16(10-21)4-17(3-15)11-21/h12-19H,1-11H2/b20-12-
InChIKeyRBVYPALNOSKXQA-NDENLUEZSA-N
MW282.47 g/mol
LogP5.59
Rot. Bonds1

About 2-(1-adamantylmethylidene)adamantane

2-(1-adamantylmethylidene)adamantane (PubChem CID 134979749) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(1-adamantylmethylidene)adamantane.

Molecular Properties

Compound Name2-(1-adamantylmethylidene)adamantane
PubChem CID134979749
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name2-(1-adamantylmethylidene)adamantane
SMILESC(=C1C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30/c1-13-5-18-7-14(1)8-19(6-13)20(18)12-21-9-15-2-16(10-21)4-17(3-15)11-21/h12-19H,1-11H2/b20-12-
InChIKeyRBVYPALNOSKXQA-NDENLUEZSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.59
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 2-(1-adamantylmethylidene)adamantane?
The IUPAC name of 2-(1-adamantylmethylidene)adamantane (CID 134979749) is 2-(1-adamantylmethylidene)adamantane.
What is the SMILES notation for 2-(1-adamantylmethylidene)adamantane?
The canonical SMILES for 2-(1-adamantylmethylidene)adamantane is C(=C1C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylmethylidene)adamantane?
The InChIKey is RBVYPALNOSKXQA-NDENLUEZSA-N. The full InChI is InChI=1S/C21H30/c1-13-5-18-7-14(1)8-19(6-13)20(18)12-21-9-15-2-16(10-21)4-17(3-15)11-21/h12-19H,1-11H2/b20-12-.
What are the key properties of 2-(1-adamantylmethylidene)adamantane?
2-(1-adamantylmethylidene)adamantane has a molecular weight of 282.47 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethylidene)adamantane is sourced from PubChem (CID 134979749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).