2-octyladamantan-2-ol

C18H32O — CID 22603447

IUPAC2-octyladamantan-2-ol
SMILESCCCCCCCCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-18(19)16-10-14-9-15(12-16)13-17(18)11-14/h14-17,19H,2-13H2,1H3
InChIKeyPBSYPNQARPPKED-UHFFFAOYSA-N
MW264.45 g/mol
LogP4.92
Rot. Bonds7

About 2-octyladamantan-2-ol

2-octyladamantan-2-ol (PubChem CID 22603447) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-octyladamantan-2-ol.

Molecular Properties

Compound Name2-octyladamantan-2-ol
PubChem CID22603447
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-octyladamantan-2-ol
SMILESCCCCCCCCC1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-18(19)16-10-14-9-15(12-16)13-17(18)11-14/h14-17,19H,2-13H2,1H3
InChIKeyPBSYPNQARPPKED-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-pentyladamantane-1,4-diol
CID 139814588
2-(4-methoxybutyl)adamantan-2-ol
CID 11586755
2-(3-hydroxypropyl)adamantan-2-ol
CID 14913337
3-(2-hydroxy-2-adamantyl)propyl-trimethylazanium
CID 10547717
adamantane;hexane
CID 157109132
bicyclo[2.2.1]heptane;heptane
CID 161465006
7-heptylbicyclo[4.1.0]heptan-7-ol
CID 79331994
1-hexyladamantane
CID 585171
2-(propylaminomethyl)adamantan-2-ol
CID 62773922
2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 55185786
bis(2-octyl-2-adamantyl) adamantane-1,3-dicarboxylate
CID 69157016
bis(2-hexyl-2-adamantyl) adamantane-1,3-dicarboxylate
CID 69157393

Frequently Asked Questions

What is the IUPAC name of 2-octyladamantan-2-ol?
The IUPAC name of 2-octyladamantan-2-ol (CID 22603447) is 2-octyladamantan-2-ol.
What is the SMILES notation for 2-octyladamantan-2-ol?
The canonical SMILES for 2-octyladamantan-2-ol is CCCCCCCCC1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-octyladamantan-2-ol?
The InChIKey is PBSYPNQARPPKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-18(19)16-10-14-9-15(12-16)13-17(18)11-14/h14-17,19H,2-13H2,1H3.
What are the key properties of 2-octyladamantan-2-ol?
2-octyladamantan-2-ol has a molecular weight of 264.45 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyladamantan-2-ol is sourced from PubChem (CID 22603447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).