2-(1-adamantyl)-4-methylpentan-1-ol

C16H28O — CID 158610726

IUPAC2-(1-adamantyl)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28O/c1-11(2)3-15(10-17)16-7-12-4-13(8-16)6-14(5-12)9-16/h11-15,17H,3-10H2,1-2H3
InChIKeyCPEQOFDRWJBBSR-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.86
Rot. Bonds4

About 2-(1-adamantyl)-4-methylpentan-1-ol

2-(1-adamantyl)-4-methylpentan-1-ol (PubChem CID 158610726) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(1-adamantyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(1-adamantyl)-4-methylpentan-1-ol
PubChem CID158610726
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2-(1-adamantyl)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28O/c1-11(2)3-15(10-17)16-7-12-4-13(8-16)6-14(5-12)9-16/h11-15,17H,3-10H2,1-2H3
InChIKeyCPEQOFDRWJBBSR-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1-adamantyl)-4-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantyl)propan-1-ol
CID 23623999
1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine
CID 63420224
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923
1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43105658
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-[(1R)-1-chloroethyl]adamantane
CID 94672919
(2S,3S)-3-(1-adamantyl)-3-aminopropane-1,2-diol
CID 139207259
1-(1-adamantyl)ethyl-trihydroxysilane
CID 69077254
3-[1-(1-adamantyl)ethylamino]butan-1-ol
CID 83176774
(2R)-2-(1-adamantylmethylamino)propan-1-ol
CID 7090704
2-(1-adamantyl)-2-(2,2-dimethylpropylamino)ethanol chloride
CID 53313645
N-[1-(1-adamantyl)ethyl]-4-methylpentanamide
CID 112789585

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-4-methylpentan-1-ol?
The IUPAC name of 2-(1-adamantyl)-4-methylpentan-1-ol (CID 158610726) is 2-(1-adamantyl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(1-adamantyl)-4-methylpentan-1-ol?
The canonical SMILES for 2-(1-adamantyl)-4-methylpentan-1-ol is CC(C)CC(CO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-4-methylpentan-1-ol?
The InChIKey is CPEQOFDRWJBBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-11(2)3-15(10-17)16-7-12-4-13(8-16)6-14(5-12)9-16/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-4-methylpentan-1-ol?
2-(1-adamantyl)-4-methylpentan-1-ol has a molecular weight of 236.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-4-methylpentan-1-ol is sourced from PubChem (CID 158610726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).