1,2,2,3,4-pentamethyladamantane

C15H26 — CID 154116674

IUPAC1,2,2,3,4-pentamethyladamantane
SMILESCC1C2CC3CC(C)(C2)C(C)(C)C1(C)C3
InChIInChI=1S/C15H26/c1-10-12-6-11-7-14(4,9-12)13(2,3)15(10,5)8-11/h10-12H,6-9H2,1-5H3
InChIKeyOLKBIJWONUIVEC-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.49
Rot. Bonds

About 1,2,2,3,4-pentamethyladamantane

1,2,2,3,4-pentamethyladamantane (PubChem CID 154116674) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1,2,2,3,4-pentamethyladamantane.

Molecular Properties

Compound Name1,2,2,3,4-pentamethyladamantane
PubChem CID154116674
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1,2,2,3,4-pentamethyladamantane
SMILESCC1C2CC3CC(C)(C2)C(C)(C)C1(C)C3
InChIInChI=1S/C15H26/c1-10-12-6-11-7-14(4,9-12)13(2,3)15(10,5)8-11/h10-12H,6-9H2,1-5H3
InChIKeyOLKBIJWONUIVEC-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,2,3,4-pentamethyladamantane 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 1,2,2,3,4-pentamethyladamantane?
The IUPAC name of 1,2,2,3,4-pentamethyladamantane (CID 154116674) is 1,2,2,3,4-pentamethyladamantane.
What is the SMILES notation for 1,2,2,3,4-pentamethyladamantane?
The canonical SMILES for 1,2,2,3,4-pentamethyladamantane is CC1C2CC3CC(C)(C2)C(C)(C)C1(C)C3.
What is the InChIKey of 1,2,2,3,4-pentamethyladamantane?
The InChIKey is OLKBIJWONUIVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-10-12-6-11-7-14(4,9-12)13(2,3)15(10,5)8-11/h10-12H,6-9H2,1-5H3.
What are the key properties of 1,2,2,3,4-pentamethyladamantane?
1,2,2,3,4-pentamethyladamantane has a molecular weight of 206.37 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4-pentamethyladamantane is sourced from PubChem (CID 154116674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).