(1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one

C10H16O2 — CID 10678692

IUPAC(1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one
SMILESO=C1CCC[C@@H]2CC[C@@]1(CO)C2
InChIInChI=1S/C10H16O2/c11-7-10-5-4-8(6-10)2-1-3-9(10)12/h8,11H,1-7H2/t8-,10+/m1/s1
InChIKeyIMXUVQOWNWBIJS-SCZZXKLOSA-N
MW168.24 g/mol
LogP1.52
Rot. Bonds1

About (1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one

(1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one (PubChem CID 10678692) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one.

Molecular Properties

Compound Name(1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one
PubChem CID10678692
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one
SMILESO=C1CCC[C@@H]2CC[C@@]1(CO)C2
InChIInChI=1S/C10H16O2/c11-7-10-5-4-8(6-10)2-1-3-9(10)12/h8,11H,1-7H2/t8-,10+/m1/s1
InChIKeyIMXUVQOWNWBIJS-SCZZXKLOSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(hydroxymethyl)cyclopentan-1-one;ethane-1,2-diol
CID 90417728
(2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 58860320
[1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol
CID 66952313
(1R)-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one;propane
CID 160794467
2-(hydroxymethyl)-2-methylcycloheptan-1-one
CID 11240623
(4aR,8aR,10aR)-8a-(hydroxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one
CID 59301055
(4aS,8aS,10aR)-8a-(hydroxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one
CID 11507370
(5S,6S)-6-hydroxy-10-(hydroxymethyl)-13-methyl-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-1,17-dione
CID 45043667
(10aS)-8a-(hydroxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one
CID 70936750
8a-(hydroxymethyl)-1,1,4a-trimethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one
CID 59826471
bicyclo[3.2.2]nonane-1-carboxylic acid
CID 12757493
4a-(hydroxymethyl)-1-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 130126279

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one?
The IUPAC name of (1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one (CID 10678692) is (1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one.
What is the SMILES notation for (1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one?
The canonical SMILES for (1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one is O=C1CCC[C@@H]2CC[C@@]1(CO)C2.
What is the InChIKey of (1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one?
The InChIKey is IMXUVQOWNWBIJS-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H16O2/c11-7-10-5-4-8(6-10)2-1-3-9(10)12/h8,11H,1-7H2/t8-,10+/m1/s1.
What are the key properties of (1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one?
(1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-1-(hydroxymethyl)bicyclo[4.2.1]nonan-2-one is sourced from PubChem (CID 10678692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).