7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol

C10H18O2 — CID 5130443

IUPAC7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol
SMILESOCC1CC2CC(O)CC(C1)C2
InChIInChI=1S/C10H18O2/c11-6-9-2-7-1-8(3-9)5-10(12)4-7/h7-12H,1-6H2
InChIKeyLTHDKLTZLLXHMT-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.17
Rot. Bonds1

About 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol

7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol (PubChem CID 5130443) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol
PubChem CID5130443
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol
SMILESOCC1CC2CC(O)CC(C1)C2
InChIInChI=1S/C10H18O2/c11-6-9-2-7-1-8(3-9)5-10(12)4-7/h7-12H,1-6H2
InChIKeyLTHDKLTZLLXHMT-UHFFFAOYSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol (CID 5130443) is 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol is OCC1CC2CC(O)CC(C1)C2.
What is the InChIKey of 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol?
The InChIKey is LTHDKLTZLLXHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-6-9-2-7-1-8(3-9)5-10(12)4-7/h7-12H,1-6H2.
What are the key properties of 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol?
7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 5130443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).