(1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one

C10H16O2 — CID 12561268

IUPAC(1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one
SMILESO=C1C[C@@H]2CC(CO)C[C@H](C1)C2
InChIInChI=1S/C10H16O2/c11-6-9-2-7-1-8(3-9)5-10(12)4-7/h7-9,11H,1-6H2/t7-,8+,9?
InChIKeyBKCPSSRFXCBXDV-JVHMLUBASA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds1

About (1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one

(1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one (PubChem CID 12561268) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one
PubChem CID12561268
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one
SMILESO=C1C[C@@H]2CC(CO)C[C@H](C1)C2
InChIInChI=1S/C10H16O2/c11-6-9-2-7-1-8(3-9)5-10(12)4-7/h7-9,11H,1-6H2/t7-,8+,9?
InChIKeyBKCPSSRFXCBXDV-JVHMLUBASA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(3R,5S)-3,5-bis(hydroxymethyl)cyclohexan-1-one
CID 13239186
cis-(3S,4R)-3,4-bis(hydroxymethyl)cyclopentan-1-one
CID 11389450
[(1R,5S)-3-azabicyclo[3.3.1]nonan-7-yl]methanol;hydrochloride
CID 155978315
cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one
CID 124561770
7-propan-2-ylidenebicyclo[3.3.1]nonan-3-one
CID 130038338
7-(hydroxymethyl)-3-oxabicyclo[3.3.1]nonan-9-one
CID 91990168
7,7-dimethylbicyclo[3.3.1]nonan-3-one
CID 118703373
tert-butyl (1R,5R)-7-(hydroxymethyl)-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 170075586
3,3-dimethyl-3-azoniabicyclo[3.3.1]nonan-7-one
CID 53429583
3-(hydroxymethyl)cyclobutan-1-ol
CID 14045176
(1S,5R)-3,3-dimethyl-3-azoniabicyclo[3.3.1]nonan-7-one iodide
CID 56972855
trans-(3R,5R)-3,5-dimethoxycyclohexan-1-one
CID 22213714

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one?
The IUPAC name of (1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one (CID 12561268) is (1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one is O=C1C[C@@H]2CC(CO)C[C@H](C1)C2.
What is the InChIKey of (1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one?
The InChIKey is BKCPSSRFXCBXDV-JVHMLUBASA-N. The full InChI is InChI=1S/C10H16O2/c11-6-9-2-7-1-8(3-9)5-10(12)4-7/h7-9,11H,1-6H2/t7-,8+,9?.
What are the key properties of (1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one?
(1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 12561268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).