2-(4-methoxybutyl)adamantan-2-ol

C15H26O2 — CID 11586755

IUPAC2-(4-methoxybutyl)adamantan-2-ol
SMILESCOCCCCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26O2/c1-17-5-3-2-4-15(16)13-7-11-6-12(9-13)10-14(15)8-11/h11-14,16H,2-10H2,1H3
InChIKeyUQQFHQTYYIAZFM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.99
Rot. Bonds5

About 2-(4-methoxybutyl)adamantan-2-ol

2-(4-methoxybutyl)adamantan-2-ol (PubChem CID 11586755) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(4-methoxybutyl)adamantan-2-ol.

Molecular Properties

Compound Name2-(4-methoxybutyl)adamantan-2-ol
PubChem CID11586755
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(4-methoxybutyl)adamantan-2-ol
SMILESCOCCCCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26O2/c1-17-5-3-2-4-15(16)13-7-11-6-12(9-13)10-14(15)8-11/h11-14,16H,2-10H2,1H3
InChIKeyUQQFHQTYYIAZFM-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methoxybutyl)adamantan-2-ol 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-(4-methoxybutyl)adamantan-2-ol?
The IUPAC name of 2-(4-methoxybutyl)adamantan-2-ol (CID 11586755) is 2-(4-methoxybutyl)adamantan-2-ol.
What is the SMILES notation for 2-(4-methoxybutyl)adamantan-2-ol?
The canonical SMILES for 2-(4-methoxybutyl)adamantan-2-ol is COCCCCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(4-methoxybutyl)adamantan-2-ol?
The InChIKey is UQQFHQTYYIAZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-17-5-3-2-4-15(16)13-7-11-6-12(9-13)10-14(15)8-11/h11-14,16H,2-10H2,1H3.
What are the key properties of 2-(4-methoxybutyl)adamantan-2-ol?
2-(4-methoxybutyl)adamantan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutyl)adamantan-2-ol is sourced from PubChem (CID 11586755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).