dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol

C10H26O8P2 — CID 159782476

IUPACdihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol
SMILESCC(CO)OCC(C)(O)C(C)(C)C.OP(O)OP(O)O
InChIInChI=1S/C10H22O3.H4O5P2/c1-8(6-11)13-7-10(5,12)9(2,3)4;1-6(2)5-7(3)4/h8,11-12H,6-7H2,1-5H3;1-4H
InChIKeyNHNKETIFFMBDMJ-UHFFFAOYSA-N
MW336.26 g/mol
LogP0.61
Rot. Bonds6

About dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol

dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol (PubChem CID 159782476) has the molecular formula C10H26O8P2 and a molecular weight of 336.26 g/mol. Its IUPAC name is dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol.

Molecular Properties

Compound Namedihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol
PubChem CID159782476
Molecular FormulaC10H26O8P2
Molecular Weight336.26 g/mol
Exact Mass336.11
IUPAC Namedihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol
SMILESCC(CO)OCC(C)(O)C(C)(C)C.OP(O)OP(O)O
InChIInChI=1S/C10H22O3.H4O5P2/c1-8(6-11)13-7-10(5,12)9(2,3)4;1-6(2)5-7(3)4/h8,11-12H,6-7H2,1-5H3;1-4H
InChIKeyNHNKETIFFMBDMJ-UHFFFAOYSA-N
XLogP0.61
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 50.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
(2R)-2-(methoxymethoxy)propan-1-ol
CID 10975472
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
1-aminooxy-2,3,3-trimethylbutan-2-ol
CID 105429081
2-[2,3-bis(1-hydroxypropan-2-yloxy)propoxy]propan-1-ol
CID 59464535
(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 55281826
(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 86735110
4-methyl-5-[(2-methylpropan-2-yl)oxy]pentane-2,2-diol
CID 143201598
2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol
CID 118488809
2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol
CID 142712602
3-(1-hydroxypropan-2-yloxy)-1,1,1,2-tetrakis(phenylsulfanyl)propan-2-ol
CID 88758824
3-(1-hydroxypropan-2-yloxy)-1,1-bis(sulfanyl)propan-2-ol
CID 154193686

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol?
The IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol (CID 159782476) is dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol.
What is the SMILES notation for dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol?
The canonical SMILES for dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol is CC(CO)OCC(C)(O)C(C)(C)C.OP(O)OP(O)O.
What is the InChIKey of dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol?
The InChIKey is NHNKETIFFMBDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3.H4O5P2/c1-8(6-11)13-7-10(5,12)9(2,3)4;1-6(2)5-7(3)4/h8,11-12H,6-7H2,1-5H3;1-4H.
What are the key properties of dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol?
dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol has a molecular weight of 336.26 g/mol, XLogP of 0.61, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl dihydrogen phosphite;1-(1-hydroxypropan-2-yloxy)-2,3,3-trimethylbutan-2-ol is sourced from PubChem (CID 159782476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).