9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide

C8H15O2P — CID 171050825

IUPAC9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide
SMILESO=P1(O)C2CCCC1CCC2
InChIInChI=1S/C8H15O2P/c9-11(10)7-3-1-4-8(11)6-2-5-7/h7-8H,1-6H2,(H,9,10)
InChIKeyZGZSTFZKADJXJH-UHFFFAOYSA-N
MW174.18 g/mol
LogP2.36
Rot. Bonds

About 9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide

9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide (PubChem CID 171050825) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is 9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide.

Molecular Properties

Compound Name9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide
PubChem CID171050825
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Name9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide
SMILESO=P1(O)C2CCCC1CCC2
InChIInChI=1S/C8H15O2P/c9-11(10)7-3-1-4-8(11)6-2-5-7/h7-8H,1-6H2,(H,9,10)
InChIKeyZGZSTFZKADJXJH-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S,6R,8R)-8-methyl-8-oxo-8λ5-phosphabicyclo[3.2.1]octan-6-ol
CID 130756776
1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide
CID 89372663
cyclobutanol;cyclopropanol
CID 175019048
2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide
CID 159109458
2,4-dihydroxy-3-pyrrolidin-1-yl-1,2λ5,4λ5-oxadiphosphetane 2,4-dioxide
CID 101154328
4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 58900627
9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene
CID 123249112
di(cyclobutyl)methanone
CID 15444458
(2R,6R)-selenane-2,6-dicarboxylic acid
CID 163044693
cyclobutyl-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428271
N-cycloheptyl-2,4-dihydroxy-2,4-dioxo-1,2λ5,4λ5-oxadiphosphetan-3-amine
CID 101196354
di(cyclobutyl)methanone;trihydrochloride
CID 174768211

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide?
The IUPAC name of 9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide (CID 171050825) is 9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide.
What is the SMILES notation for 9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide?
The canonical SMILES for 9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide is O=P1(O)C2CCCC1CCC2.
What is the InChIKey of 9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide?
The InChIKey is ZGZSTFZKADJXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2P/c9-11(10)7-3-1-4-8(11)6-2-5-7/h7-8H,1-6H2,(H,9,10).
What are the key properties of 9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide?
9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide has a molecular weight of 174.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide is sourced from PubChem (CID 171050825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).