(1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol

C9H15BrO — CID 131031086

IUPAC(1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol
SMILESO[C@H]1[C@@H]2CCC[C@@H](C2)C[C@@H]1Br
InChIInChI=1S/C9H15BrO/c10-8-5-6-2-1-3-7(4-6)9(8)11/h6-9,11H,1-5H2/t6-,7+,8-,9-/m0/s1
InChIKeyVKDZRAMTZZVVAM-KZVJFYERSA-N
MW219.12 g/mol
LogP2.32
Rot. Bonds

About (1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol

(1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol (PubChem CID 131031086) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is (1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol.

Molecular Properties

Compound Name(1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol
PubChem CID131031086
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name(1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol
SMILESO[C@H]1[C@@H]2CCC[C@@H](C2)C[C@@H]1Br
InChIInChI=1S/C9H15BrO/c10-8-5-6-2-1-3-7(4-6)9(8)11/h6-9,11H,1-5H2/t6-,7+,8-,9-/m0/s1
InChIKeyVKDZRAMTZZVVAM-KZVJFYERSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R,11S)-tricyclo[5.5.1.03,11]tridecane
CID 54121059
[(1S,5R,6R)-6-bicyclo[3.2.1]octanyl]methanol
CID 131199969
(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine
CID 14638743
2-bromobicyclo[2.2.1]heptane;methanamine
CID 174462480
cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 98363893
(1R,5R)-3-(hydroxymethyl)bicyclo[3.3.1]nonan-9-ol
CID 98468603
(3aR,5R,6S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-5,6-diol
CID 130891181
6-methoxybicyclo[3.2.1]octane
CID 13070234
(2-amino-3-bicyclo[3.3.1]nonanyl)methanol
CID 89331972
1,1-difluoro-2-[(2-hydroxy-3-bicyclo[3.3.1]nonanyl)methoxy]-2-oxoethanesulfonic acid
CID 89082668
3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol?
The IUPAC name of (1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol (CID 131031086) is (1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol.
What is the SMILES notation for (1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol?
The canonical SMILES for (1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol is O[C@H]1[C@@H]2CCC[C@@H](C2)C[C@@H]1Br.
What is the InChIKey of (1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol?
The InChIKey is VKDZRAMTZZVVAM-KZVJFYERSA-N. The full InChI is InChI=1S/C9H15BrO/c10-8-5-6-2-1-3-7(4-6)9(8)11/h6-9,11H,1-5H2/t6-,7+,8-,9-/m0/s1.
What are the key properties of (1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol?
(1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol has a molecular weight of 219.12 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5S)-3-bromobicyclo[3.3.1]nonan-2-ol is sourced from PubChem (CID 131031086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).