2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide

C9H19O4P — CID 154259848

IUPAC2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
SMILESO=P1(O)OCCCCCCCCCO1
InChIInChI=1S/C9H19O4P/c10-14(11)12-8-6-4-2-1-3-5-7-9-13-14/h1-9H2,(H,10,11)
InChIKeyDKVOUFTVWIUJFR-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.86
Rot. Bonds

About 2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide

2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide (PubChem CID 154259848) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide.

Molecular Properties

Compound Name2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
PubChem CID154259848
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
SMILESO=P1(O)OCCCCCCCCCO1
InChIInChI=1S/C9H19O4P/c10-14(11)12-8-6-4-2-1-3-5-7-9-13-14/h1-9H2,(H,10,11)
InChIKeyDKVOUFTVWIUJFR-UHFFFAOYSA-N
XLogP2.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide?
The IUPAC name of 2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide (CID 154259848) is 2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide.
What is the SMILES notation for 2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide?
The canonical SMILES for 2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide is O=P1(O)OCCCCCCCCCO1.
What is the InChIKey of 2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide?
The InChIKey is DKVOUFTVWIUJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c10-14(11)12-8-6-4-2-1-3-5-7-9-13-14/h1-9H2,(H,10,11).
What are the key properties of 2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide?
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide has a molecular weight of 222.22 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide is sourced from PubChem (CID 154259848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).