[3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol

C14H24O2 — CID 58085532

IUPAC[3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol
SMILESCCC12CC3CC(CO)(C1)CC(CO)(C3)C2
InChIInChI=1S/C14H24O2/c1-2-12-3-11-4-13(6-12,9-15)8-14(5-11,7-12)10-16/h11,15-16H,2-10H2,1H3
InChIKeyXVTNSNMMTHVZBV-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.34
Rot. Bonds3

About [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol

[3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol (PubChem CID 58085532) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol.

Molecular Properties

Compound Name[3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol
PubChem CID58085532
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol
SMILESCCC12CC3CC(CO)(C1)CC(CO)(C3)C2
InChIInChI=1S/C14H24O2/c1-2-12-3-11-4-13(6-12,9-15)8-14(5-11,7-12)10-16/h11,15-16H,2-10H2,1H3
InChIKeyXVTNSNMMTHVZBV-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol 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 [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol?
The IUPAC name of [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol (CID 58085532) is [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol.
What is the SMILES notation for [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol?
The canonical SMILES for [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol is CCC12CC3CC(CO)(C1)CC(CO)(C3)C2.
What is the InChIKey of [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol?
The InChIKey is XVTNSNMMTHVZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-12-3-11-4-13(6-12,9-15)8-14(5-11,7-12)10-16/h11,15-16H,2-10H2,1H3.
What are the key properties of [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol?
[3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol has a molecular weight of 224.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-5-(hydroxymethyl)-1-adamantyl]methanol is sourced from PubChem (CID 58085532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).