2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide

C9H19O4P — CID 175558999

IUPAC2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCCCCCOP1(=O)OCCCO1
InChIInChI=1S/C9H19O4P/c1-2-3-4-5-7-11-14(10)12-8-6-9-13-14/h2-9H2,1H3
InChIKeyRSMRGOBGZUUCPX-UHFFFAOYSA-N
MW222.22 g/mol
LogP3.13
Rot. Bonds6

About 2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide

2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 175558999) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID175558999
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCCCCCOP1(=O)OCCCO1
InChIInChI=1S/C9H19O4P/c1-2-3-4-5-7-11-14(10)12-8-6-9-13-14/h2-9H2,1H3
InChIKeyRSMRGOBGZUUCPX-UHFFFAOYSA-N
XLogP3.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-dodecoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide
CID 70636781
4-octadecoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide
CID 70636987
2-[(2R)-2-octoxy-3-[16-[(2R)-2-octoxy-3-[(2-oxo-1,3,2lambda5-dioxaphospholan-2-yl)oxy]propoxy]hexadecoxy]propoxy]-1,3,2lambda5-dioxaphospholane 2-oxide
CID 10259946
2-hexoxy-4,6-dihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 141080121
2-(4-methylpentoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 123874175
(1S,2S,8R,9R)-5-butoxy-4,6-dioxa-5λ5-phosphatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide
CID 118066349
2-(2-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 71446406
(3S,8aR)-5-methyl-3-oxo-3-tetradecoxy-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one
CID 162932585
ethoxyethane;heptane;oxolane
CID 86588588
1-methoxypentane;oxolane
CID 160798368
(8aR)-5-ethyl-3-hexadecoxy-3-oxo-8,8a-dihydro-1H-furo[3,4-e][1,3,2]dioxaphosphepin-6-one
CID 101182232
1,4-dioxane;1-pentoxypentane
CID 174356603

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide (CID 175558999) is 2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide is CCCCCCOP1(=O)OCCCO1.
What is the InChIKey of 2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is RSMRGOBGZUUCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-2-3-4-5-7-11-14(10)12-8-6-9-13-14/h2-9H2,1H3.
What are the key properties of 2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide?
2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 222.22 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 175558999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).