(1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol

C8H15O2P — CID 130756776

IUPAC(1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol
SMILESC[P@@]1(=O)[C@@H]2CCC[C@H]1[C@H](O)C2
InChIInChI=1S/C8H15O2P/c1-11(10)6-3-2-4-8(11)7(9)5-6/h6-9H,2-5H2,1H3/t6-,7-,8+,11-/m1/s1
InChIKeyWFQXIPBUJSMJTE-HGIWHZBTSA-N
MW174.18 g/mol
LogP1.66
Rot. Bonds

About (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol

(1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol (PubChem CID 130756776) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name(1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol
PubChem CID130756776
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Name(1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol
SMILESC[P@@]1(=O)[C@@H]2CCC[C@H]1[C@H](O)C2
InChIInChI=1S/C8H15O2P/c1-11(10)6-3-2-4-8(11)7(9)5-6/h6-9H,2-5H2,1H3/t6-,7-,8+,11-/m1/s1
InChIKeyWFQXIPBUJSMJTE-HGIWHZBTSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol with MolForge

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Related Compounds

9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide
CID 171050825
1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide
CID 89372663
(3aR,5R,6S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-5,6-diol
CID 130891181
cyclobutanol;cyclopropanol
CID 175019048
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744
cis-(1R,3S)-cyclohexane-1,3-diol
CID 6432741
3-(3-hydroxycyclohexyl)cycloheptan-1-ol
CID 129132382
potassium cyclohexane-1,3-diol
CID 22067166
cis-(1S,3R)-cyclohexane-1,3-diol;copper
CID 68514238
trans-(1R,3R)-3-cyclopentylcyclohexan-1-ol
CID 66963449
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
CID 13056507
(2S,3S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diol
CID 22215815

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol?
The IUPAC name of (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol (CID 130756776) is (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol is C[P@@]1(=O)[C@@H]2CCC[C@H]1[C@H](O)C2.
What is the InChIKey of (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol?
The InChIKey is WFQXIPBUJSMJTE-HGIWHZBTSA-N. The full InChI is InChI=1S/C8H15O2P/c1-11(10)6-3-2-4-8(11)7(9)5-6/h6-9H,2-5H2,1H3/t6-,7-,8+,11-/m1/s1.
What are the key properties of (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol?
(1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol has a molecular weight of 174.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 130756776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).