1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite

C6H16O7P2 — CID 91479739

IUPAC1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite
SMILESCC(COP(O)O)OCC(C)OP(O)O
InChIInChI=1S/C6H16O7P2/c1-5(4-12-14(7)8)11-3-6(2)13-15(9)10/h5-10H,3-4H2,1-2H3
InChIKeyBLBWIOVWIYTEIG-UHFFFAOYSA-N
MW262.13 g/mol
LogP0.24
Rot. Bonds8

About 1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite

1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite (PubChem CID 91479739) has the molecular formula C6H16O7P2 and a molecular weight of 262.13 g/mol. Its IUPAC name is 1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite.

Molecular Properties

Compound Name1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite
PubChem CID91479739
Molecular FormulaC6H16O7P2
Molecular Weight262.13 g/mol
Exact Mass262.04
IUPAC Name1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite
SMILESCC(COP(O)O)OCC(C)OP(O)O
InChIInChI=1S/C6H16O7P2/c1-5(4-12-14(7)8)11-3-6(2)13-15(9)10/h5-10H,3-4H2,1-2H3
InChIKeyBLBWIOVWIYTEIG-UHFFFAOYSA-N
XLogP0.24
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite
CID 57030773
CID 88825483
CID 88825483
1-dihydroxyphosphanyloxypropan-2-yl prop-2-enoate
CID 151009966
1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite
CID 118856488
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87903083
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87899211
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 101356473

Frequently Asked Questions

What is the IUPAC name of 1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite?
The IUPAC name of 1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite (CID 91479739) is 1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite.
What is the SMILES notation for 1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite?
The canonical SMILES for 1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite is CC(COP(O)O)OCC(C)OP(O)O.
What is the InChIKey of 1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite?
The InChIKey is BLBWIOVWIYTEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O7P2/c1-5(4-12-14(7)8)11-3-6(2)13-15(9)10/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite?
1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite has a molecular weight of 262.13 g/mol, XLogP of 0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-dihydroxyphosphanyloxypropan-2-yloxy)propan-2-yl dihydrogen phosphite is sourced from PubChem (CID 91479739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).