3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol

C11H18O2 — CID 152947818

IUPAC3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol
SMILESCC1CC2(O)CC3(CO)CC3(C1)C2
InChIInChI=1S/C11H18O2/c1-8-2-9-4-10(9,7-12)6-11(13,3-8)5-9/h8,12-13H,2-7H2,1H3
InChIKeyUOCGFJMGURFMIR-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.31
Rot. Bonds1

About 3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol

3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol (PubChem CID 152947818) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol
PubChem CID152947818
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol
SMILESCC1CC2(O)CC3(CO)CC3(C1)C2
InChIInChI=1S/C11H18O2/c1-8-2-9-4-10(9,7-12)6-11(13,3-8)5-9/h8,12-13H,2-7H2,1H3
InChIKeyUOCGFJMGURFMIR-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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Related Compounds

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(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
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5-amino-3-methylbicyclo[3.3.1]nonan-1-ol
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1-[3-(aminomethyl)oxolan-3-yl]-3,3,5-trimethylcyclohexan-1-ol
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(1S,2S,4S)-1-(hydroxymethyl)-4-methylcyclopentane-1,2-diol
CID 54195839
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
(1R)-1-ethyl-3,3,5-trimethylcyclohexan-1-ol
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(2,4,6,6-tetramethyloxan-2-yl)methanol
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CID 79124414

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol?
The IUPAC name of 3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol (CID 152947818) is 3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol.
What is the SMILES notation for 3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol?
The canonical SMILES for 3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol is CC1CC2(O)CC3(CO)CC3(C1)C2.
What is the InChIKey of 3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol?
The InChIKey is UOCGFJMGURFMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-2-9-4-10(9,7-12)6-11(13,3-8)5-9/h8,12-13H,2-7H2,1H3.
What are the key properties of 3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol?
3-(hydroxymethyl)-7-methyltricyclo[3.3.1.01,3]nonan-5-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)-7-methyltricyclo[3.3.1.01,3]nonan-5-ol is sourced from PubChem (CID 152947818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).