(1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol

C10H18O2 — CID 98468603

IUPAC(1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol
SMILESOCC1C[C@H]2CCC[C@H](C1)C2O
InChIInChI=1S/C10H18O2/c11-6-7-4-8-2-1-3-9(5-7)10(8)12/h7-12H,1-6H2/t7?,8-,9-,10?/m1/s1
InChIKeyQJLYYIFAPIDESB-DSAQSWLYSA-N
MW170.25 g/mol
LogP1.17
Rot. Bonds1

About (1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol

(1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol (PubChem CID 98468603) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol
PubChem CID98468603
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol
SMILESOCC1C[C@H]2CCC[C@H](C1)C2O
InChIInChI=1S/C10H18O2/c11-6-7-4-8-2-1-3-9(5-7)10(8)12/h7-12H,1-6H2/t7?,8-,9-,10?/m1/s1
InChIKeyQJLYYIFAPIDESB-DSAQSWLYSA-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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Related Compounds

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3-(hydroxymethyl)cyclobutan-1-ol
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(5-cyclobutylpyrrolidin-3-yl)methanol
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[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
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(5-cyclohexylpiperidin-3-yl)methanol
CID 83915896
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol
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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol (CID 98468603) is (1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol is OCC1C[C@H]2CCC[C@H](C1)C2O.
What is the InChIKey of (1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol?
The InChIKey is QJLYYIFAPIDESB-DSAQSWLYSA-N. The full InChI is InChI=1S/C10H18O2/c11-6-7-4-8-2-1-3-9(5-7)10(8)12/h7-12H,1-6H2/t7?,8-,9-,10?/m1/s1.
What are the key properties of (1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol?
(1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-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 (1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 98468603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).