3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol

C11H20O2 — CID 148598782

IUPAC3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol
SMILESCC1(CO)CC2CCCC(O)(C2)C1
InChIInChI=1S/C11H20O2/c1-10(8-12)5-9-3-2-4-11(13,6-9)7-10/h9,12-13H,2-8H2,1H3
InChIKeyNCCHNENCQSESSI-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.70
Rot. Bonds1

About 3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol

3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol (PubChem CID 148598782) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol
PubChem CID148598782
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol
SMILESCC1(CO)CC2CCCC(O)(C2)C1
InChIInChI=1S/C11H20O2/c1-10(8-12)5-9-3-2-4-11(13,6-9)7-10/h9,12-13H,2-8H2,1H3
InChIKeyNCCHNENCQSESSI-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-(trifluoromethylsulfanylamino)bicyclo[3.3.1]nonan-1-ol
CID 129294863
[3-(hydroxymethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] 2-iodo-2-methylbutanoate
CID 163432299
bicyclo[5.3.1]undecan-1-ol
CID 14867023
[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
CID 139437917
[3-(2-fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium
CID 147749316
3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid
CID 130311004
(1R,3S,5S)-3-methylbicyclo[3.3.1]nonane-1,3-dicarboxylic acid
CID 90772732
bicyclo[2.1.1]hexan-1-ol
CID 14867020
[1-hydroxy-3-(2-hydroxyethyl)-3-bicyclo[3.3.1]nonanyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 91041511
(1S,3S,5R)-3-aminobicyclo[3.3.1]nonan-1-ol
CID 99984864
(1-methylcyclododecyl)methanol
CID 70130772
(1-cyclopentyl-4-methylpiperidin-4-yl)methanol
CID 83915889

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol?
The IUPAC name of 3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol (CID 148598782) is 3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol.
What is the SMILES notation for 3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol?
The canonical SMILES for 3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol is CC1(CO)CC2CCCC(O)(C2)C1.
What is the InChIKey of 3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol?
The InChIKey is NCCHNENCQSESSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(8-12)5-9-3-2-4-11(13,6-9)7-10/h9,12-13H,2-8H2,1H3.
What are the key properties of 3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol?
3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-3-methylbicyclo[3.3.1]nonan-1-ol is sourced from PubChem (CID 148598782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).