3-(hydroxymethyl)adamantan-1-ol

C11H18O2 — CID 12070475

IUPAC3-(hydroxymethyl)adamantan-1-ol
SMILESOCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C11H18O2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9,12-13H,1-7H2
InChIKeyFORAJDRXEYKDFJ-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.31
Rot. Bonds1

About 3-(hydroxymethyl)adamantan-1-ol

3-(hydroxymethyl)adamantan-1-ol (PubChem CID 12070475) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(hydroxymethyl)adamantan-1-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)adamantan-1-ol
PubChem CID12070475
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-(hydroxymethyl)adamantan-1-ol
SMILESOCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C11H18O2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9,12-13H,1-7H2
InChIKeyFORAJDRXEYKDFJ-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)adamantan-1-ol?
The IUPAC name of 3-(hydroxymethyl)adamantan-1-ol (CID 12070475) is 3-(hydroxymethyl)adamantan-1-ol.
What is the SMILES notation for 3-(hydroxymethyl)adamantan-1-ol?
The canonical SMILES for 3-(hydroxymethyl)adamantan-1-ol is OCC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-(hydroxymethyl)adamantan-1-ol?
The InChIKey is FORAJDRXEYKDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9,12-13H,1-7H2.
What are the key properties of 3-(hydroxymethyl)adamantan-1-ol?
3-(hydroxymethyl)adamantan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)adamantan-1-ol is sourced from PubChem (CID 12070475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).