tris(oxan-2-yl) phosphate

C15H27O7P — CID 175007883

IUPACtris(oxan-2-yl) phosphate
SMILESO=P(OC1CCCCO1)(OC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C15H27O7P/c16-23(20-13-7-1-4-10-17-13,21-14-8-2-5-11-18-14)22-15-9-3-6-12-19-15/h13-15H,1-12H2
InChIKeyFXJMPWWTYLWPQP-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.72
Rot. Bonds6

About tris(oxan-2-yl) phosphate

tris(oxan-2-yl) phosphate (PubChem CID 175007883) has the molecular formula C15H27O7P and a molecular weight of 350.35 g/mol. Its IUPAC name is tris(oxan-2-yl) phosphate.

Molecular Properties

Compound Nametris(oxan-2-yl) phosphate
PubChem CID175007883
Molecular FormulaC15H27O7P
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC Nametris(oxan-2-yl) phosphate
SMILESO=P(OC1CCCCO1)(OC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C15H27O7P/c16-23(20-13-7-1-4-10-17-13,21-14-8-2-5-11-18-14)22-15-9-3-6-12-19-15/h13-15H,1-12H2
InChIKeyFXJMPWWTYLWPQP-UHFFFAOYSA-N
XLogP3.72
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyoxepane
CID 24974084
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
ethane;formaldehyde;methane;2-methoxyoxane
CID 161263277
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
2-cycloheptyloxyoxane
CID 11735764
2-(oxan-2-yloxy)propanoic acid
CID 542280
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
1,3-bis(oxan-2-yloxy)-1,3-diazepane-2,4,7-trione
CID 10783459
2-[4,4-bis[di(propan-2-yloxy)phosphoryl]butoxy]oxane
CID 91259156
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
dioxocan-3-yl dihydrogen phosphate
CID 141167919

Frequently Asked Questions

What is the IUPAC name of tris(oxan-2-yl) phosphate?
The IUPAC name of tris(oxan-2-yl) phosphate (CID 175007883) is tris(oxan-2-yl) phosphate.
What is the SMILES notation for tris(oxan-2-yl) phosphate?
The canonical SMILES for tris(oxan-2-yl) phosphate is O=P(OC1CCCCO1)(OC1CCCCO1)OC1CCCCO1.
What is the InChIKey of tris(oxan-2-yl) phosphate?
The InChIKey is FXJMPWWTYLWPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O7P/c16-23(20-13-7-1-4-10-17-13,21-14-8-2-5-11-18-14)22-15-9-3-6-12-19-15/h13-15H,1-12H2.
What are the key properties of tris(oxan-2-yl) phosphate?
tris(oxan-2-yl) phosphate has a molecular weight of 350.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(oxan-2-yl) phosphate is sourced from PubChem (CID 175007883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).