9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide

C2H5O11P — CID 88624800

IUPAC9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide
SMILESO=P1(O)OCCOOOOOOOO1
InChIInChI=1S/C2H5O11P/c3-14(4)6-2-1-5-7-8-9-10-11-12-13-14/h1-2H2,(H,3,4)
InChIKeyGVDDJMCVSGFWTE-UHFFFAOYSA-N
MW236.02 g/mol
LogP-0.35
Rot. Bonds

About 9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide

9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide (PubChem CID 88624800) has the molecular formula C2H5O11P and a molecular weight of 236.02 g/mol. Its IUPAC name is 9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide.

Molecular Properties

Compound Name9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide
PubChem CID88624800
Molecular FormulaC2H5O11P
Molecular Weight236.02 g/mol
Exact Mass235.96
IUPAC Name9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide
SMILESO=P1(O)OCCOOOOOOOO1
InChIInChI=1S/C2H5O11P/c3-14(4)6-2-1-5-7-8-9-10-11-12-13-14/h1-2H2,(H,3,4)
InChIKeyGVDDJMCVSGFWTE-UHFFFAOYSA-N
XLogP-0.35
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.02
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

disodium;hydride;5-hydroxy-1,2,3,4,5λ5-tetraoxaphospholane 5-oxide
CID 173145201
2,6,10-trihydroxy-1,3,5,7,9,11-hexaoxa-2λ5,6λ5,10λ5-triphosphacyclododecane 2,6,10-trioxide
CID 172770499
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
CID 18459455
heptaoxocane
CID 146021277
1,2,3,4,5-pentaoxacyclononadecane
CID 87887088
4,4,5,5-tetrakis(1-chloropropan-2-yl)-2-hydroxy-1,3,6,2λ5-trioxaphosphocane 2-oxide
CID 87150031
2-hydroxy-1,3,5,2λ5-dioxazaphosphinane 2-oxide
CID 18697532
2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 20528587
1,2,3,4,5,6,7,8,10-nonaoxa-9λ6-thiacyclododecane 9,9-dioxide
CID 88624468
2-hydroxy-4-(5-iodooxolan-2-yl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 144952765
prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate
CID 130201589

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide?
The IUPAC name of 9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide (CID 88624800) is 9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide.
What is the SMILES notation for 9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide?
The canonical SMILES for 9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide is O=P1(O)OCCOOOOOOOO1.
What is the InChIKey of 9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide?
The InChIKey is GVDDJMCVSGFWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O11P/c3-14(4)6-2-1-5-7-8-9-10-11-12-13-14/h1-2H2,(H,3,4).
What are the key properties of 9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide?
9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide has a molecular weight of 236.02 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1,2,3,4,5,6,7,8,10-nonaoxa-9λ5-phosphacyclododecane 9-oxide is sourced from PubChem (CID 88624800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).