[(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol

C9H16O — CID 130763821

IUPAC[(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol
SMILESOC[C@H]1CC[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H16O/c10-6-9-4-2-7-1-3-8(9)5-7/h7-10H,1-6H2/t7-,8-,9-/m1/s1
InChIKeyZSVMXZSFWMMCSJ-IWSPIJDZSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds1

About [(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol

[(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol (PubChem CID 130763821) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol.

Molecular Properties

Compound Name[(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol
PubChem CID130763821
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol
SMILESOC[C@H]1CC[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H16O/c10-6-9-4-2-7-1-3-8(9)5-7/h7-10H,1-6H2/t7-,8-,9-/m1/s1
InChIKeyZSVMXZSFWMMCSJ-IWSPIJDZSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R,4R,5R)-5-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
CID 130977937
[8-(hydroxymethyl)-4-bicyclo[5.2.1]decanyl]methanol
CID 66848084
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
[2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol
CID 79551480
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
tricyclo[5.3.2.04,9]dodecane
CID 54490019
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylbutan-1-ol
CID 79549926
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutan-1-ol
CID 79550101
5-(2-bicyclo[3.2.1]octanyl)pentanoic acid
CID 21325432
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
(1R,5R)-2-ethylbicyclo[3.3.1]nonane
CID 143508540

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol?
The IUPAC name of [(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol (CID 130763821) is [(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol.
What is the SMILES notation for [(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol?
The canonical SMILES for [(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol is OC[C@H]1CC[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol?
The InChIKey is ZSVMXZSFWMMCSJ-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H16O/c10-6-9-4-2-7-1-3-8(9)5-7/h7-10H,1-6H2/t7-,8-,9-/m1/s1.
What are the key properties of [(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol?
[(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol has a molecular weight of 140.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-2-bicyclo[3.2.1]octanyl]methanol is sourced from PubChem (CID 130763821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).