[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol

C10H18O2 — CID 130977937

IUPAC[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
SMILESOC[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2CO
InChIInChI=1S/C10H18O2/c11-5-9-4-8-2-1-7(9)3-10(8)6-12/h7-12H,1-6H2/t7-,8-,9+,10+/m1/s1
InChIKeyKLYGOEDQYFSBOU-IMSYWVGJSA-N
MW170.25 g/mol
LogP1.02
Rot. Bonds2

About [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol

[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol (PubChem CID 130977937) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
PubChem CID130977937
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
SMILESOC[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2CO
InChIInChI=1S/C10H18O2/c11-5-9-4-8-2-1-7(9)3-10(8)6-12/h7-12H,1-6H2/t7-,8-,9+,10+/m1/s1
InChIKeyKLYGOEDQYFSBOU-IMSYWVGJSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol with MolForge

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Related Compounds

[(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol
CID 130763821
[8-(hydroxymethyl)-4-bicyclo[5.2.1]decanyl]methanol
CID 66848084
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
(2-phenyl-6-bicyclo[3.2.1]octanyl)methanol
CID 123628380
(1S,2R,4S,5R)-5-(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 131196259
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
[(1R,7R,8S)-8-bicyclo[5.2.0]nonanyl]methanol
CID 176573331
[(8R)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 177289289
ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
CID 159961877
(6-amino-2-bicyclo[2.2.0]hexanyl)methanol
CID 171034756
(1S,2S,4R)-4-cyclooctyl-2-(hydroxymethyl)cyclopentan-1-ol
CID 67518986
[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol
CID 130624155

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol (CID 130977937) is [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol is OC[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2CO.
What is the InChIKey of [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is KLYGOEDQYFSBOU-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H18O2/c11-5-9-4-8-2-1-7(9)3-10(8)6-12/h7-12H,1-6H2/t7-,8-,9+,10+/m1/s1.
What are the key properties of [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol?
[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 130977937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).