1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide

C8H13OP — CID 89372663

IUPAC1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide
SMILESO=P12C3CCCCC1C2C3
InChIInChI=1S/C8H13OP/c9-10-6-3-1-2-4-7(10)8(10)5-6/h6-8H,1-5H2
InChIKeyWTHCDMAWVOEZJT-UHFFFAOYSA-N
MW156.16 g/mol
LogP2.45
Rot. Bonds

About 1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide

1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide (PubChem CID 89372663) has the molecular formula C8H13OP and a molecular weight of 156.16 g/mol. Its IUPAC name is 1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide.

Molecular Properties

Compound Name1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide
PubChem CID89372663
Molecular FormulaC8H13OP
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide
SMILESO=P12C3CCCCC1C2C3
InChIInChI=1S/C8H13OP/c9-10-6-3-1-2-4-7(10)8(10)5-6/h6-8H,1-5H2
InChIKeyWTHCDMAWVOEZJT-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
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
9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide
CID 171050825
cis-(1S,3R)-cyclooctane-1,3-diol
CID 59075450
(1S,8S)-3,9-dicyclohexyl-5,12-dimethyl-3λ5,9λ5-diphosphatricyclo[6.2.2.02,7]dodecane 3,9-dioxide
CID 135083394
pentakis(cyclopentanol);hafnium
CID 142301948
cyclopentanol;hafnium
CID 150405183
cyclohexanol;cyclooctanol
CID 22461579
cyclopentanol;dihydrochloride
CID 86599054
20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide
CID 130347156
bis(carbon dioxide);bis(cyclohexanol)
CID 159091312
cyclohexanol;gallane
CID 172997547
trans-(1R,3R)-cyclohexane-1,3-diol
CID 6950744

Frequently Asked Questions

What is the IUPAC name of 1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide?
The IUPAC name of 1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide (CID 89372663) is 1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide.
What is the SMILES notation for 1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide?
The canonical SMILES for 1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide is O=P12C3CCCCC1C2C3.
What is the InChIKey of 1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide?
The InChIKey is WTHCDMAWVOEZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13OP/c9-10-6-3-1-2-4-7(10)8(10)5-6/h6-8H,1-5H2.
What are the key properties of 1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide?
1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide has a molecular weight of 156.16 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1λ5-phosphatricyclo[5.2.0.02,9]nonane 1-oxide is sourced from PubChem (CID 89372663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).