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

C12H20O2 — CID 703011

IUPAC[3-(hydroxymethyl)-1-adamantyl]methanol
SMILESOCC12CC3CC(C1)CC(CO)(C3)C2
InChIInChI=1S/C12H20O2/c13-7-11-2-9-1-10(4-11)5-12(3-9,6-11)8-14/h9-10,13-14H,1-8H2
InChIKeyRABVYVVNRHVXPJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.56
Rot. Bonds2

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

[3-(hydroxymethyl)-1-adamantyl]methanol (PubChem CID 703011) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1-adamantyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1-adamantyl]methanol
PubChem CID703011
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[3-(hydroxymethyl)-1-adamantyl]methanol
SMILESOCC12CC3CC(C1)CC(CO)(C3)C2
InChIInChI=1S/C12H20O2/c13-7-11-2-9-1-10(4-11)5-12(3-9,6-11)8-14/h9-10,13-14H,1-8H2
InChIKeyRABVYVVNRHVXPJ-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1-adamantyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1-adamantyl]methanol (CID 703011) is [3-(hydroxymethyl)-1-adamantyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1-adamantyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1-adamantyl]methanol is OCC12CC3CC(C1)CC(CO)(C3)C2.
What is the InChIKey of [3-(hydroxymethyl)-1-adamantyl]methanol?
The InChIKey is RABVYVVNRHVXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-7-11-2-9-1-10(4-11)5-12(3-9,6-11)8-14/h9-10,13-14H,1-8H2.
What are the key properties of [3-(hydroxymethyl)-1-adamantyl]methanol?
[3-(hydroxymethyl)-1-adamantyl]methanol has a molecular weight of 196.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1-adamantyl]methanol is sourced from PubChem (CID 703011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).