2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol

C11H20O2 — CID 138625675

IUPAC2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol
SMILESCC1CC2CCCC(C2)C1(O)CO
InChIInChI=1S/C11H20O2/c1-8-5-9-3-2-4-10(6-9)11(8,13)7-12/h8-10,12-13H,2-7H2,1H3
InChIKeyNJECKGZUXMRBKX-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.56
Rot. Bonds1

About 2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol

2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol (PubChem CID 138625675) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol
PubChem CID138625675
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol
SMILESCC1CC2CCCC(C2)C1(O)CO
InChIInChI=1S/C11H20O2/c1-8-5-9-3-2-4-10(6-9)11(8,13)7-12/h8-10,12-13H,2-7H2,1H3
InChIKeyNJECKGZUXMRBKX-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol?
The IUPAC name of 2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol (CID 138625675) is 2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol?
The canonical SMILES for 2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol is CC1CC2CCCC(C2)C1(O)CO.
What is the InChIKey of 2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol?
The InChIKey is NJECKGZUXMRBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-5-9-3-2-4-10(6-9)11(8,13)7-12/h8-10,12-13H,2-7H2,1H3.
What are the key properties of 2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol?
2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-2-ol is sourced from PubChem (CID 138625675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).