1,4-dimethyladamantane

C12H20 — CID 590907

IUPAC1,4-dimethyladamantane
SMILESCC1C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/C12H20/c1-8-10-3-9-4-11(8)7-12(2,5-9)6-10/h8-11H,3-7H2,1-2H3
InChIKeyMUQFEEYWQQZABK-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds

About 1,4-dimethyladamantane

1,4-dimethyladamantane (PubChem CID 590907) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,4-dimethyladamantane.

Molecular Properties

Compound Name1,4-dimethyladamantane
PubChem CID590907
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,4-dimethyladamantane
SMILESCC1C2CC3CC1CC(C)(C3)C2
InChIInChI=1S/C12H20/c1-8-10-3-9-4-11(8)7-12(2,5-9)6-10/h8-11H,3-7H2,1-2H3
InChIKeyMUQFEEYWQQZABK-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyladamantane?
The IUPAC name of 1,4-dimethyladamantane (CID 590907) is 1,4-dimethyladamantane.
What is the SMILES notation for 1,4-dimethyladamantane?
The canonical SMILES for 1,4-dimethyladamantane is CC1C2CC3CC1CC(C)(C3)C2.
What is the InChIKey of 1,4-dimethyladamantane?
The InChIKey is MUQFEEYWQQZABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-8-10-3-9-4-11(8)7-12(2,5-9)6-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 1,4-dimethyladamantane?
1,4-dimethyladamantane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyladamantane is sourced from PubChem (CID 590907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).