2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol

C8H21O6P — CID 88867821

IUPAC2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol
SMILESCC(C)(C)COP(O)O.OCC(O)CO
InChIInChI=1S/C5H13O3P.C3H8O3/c1-5(2,3)4-8-9(6)7;4-1-3(6)2-5/h6-7H,4H2,1-3H3;3-6H,1-2H2
InChIKeyPWOASSKUVWTCDN-UHFFFAOYSA-N
MW244.22 g/mol
LogP-0.41
Rot. Bonds4

About 2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol

2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol (PubChem CID 88867821) has the molecular formula C8H21O6P and a molecular weight of 244.22 g/mol. Its IUPAC name is 2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol.

Molecular Properties

Compound Name2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol
PubChem CID88867821
Molecular FormulaC8H21O6P
Molecular Weight244.22 g/mol
Exact Mass244.11
IUPAC Name2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol
SMILESCC(C)(C)COP(O)O.OCC(O)CO
InChIInChI=1S/C5H13O3P.C3H8O3/c1-5(2,3)4-8-9(6)7;4-1-3(6)2-5/h6-7H,4H2,1-3H3;3-6H,1-2H2
InChIKeyPWOASSKUVWTCDN-UHFFFAOYSA-N
XLogP-0.41
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

chloro(2,2-dimethylpropoxy)phosphinous acid;ethane-1,2-diol
CID 87958894
2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol
CID 161347790
methanethiol;propane-1,2,3-triol
CID 19920877
CID 135334439
CID 135334439
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
gold;propane-1,2,3-triol
CID 87239797
CID 160843248
CID 160843248
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid
CID 88505588
propane-1,2,3-triol;propan-2-ol;hydrochloride
CID 174488065
3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
CID 174900161
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
CID 107151993

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol?
The IUPAC name of 2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol (CID 88867821) is 2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol.
What is the SMILES notation for 2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol?
The canonical SMILES for 2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol is CC(C)(C)COP(O)O.OCC(O)CO.
What is the InChIKey of 2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol?
The InChIKey is PWOASSKUVWTCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P.C3H8O3/c1-5(2,3)4-8-9(6)7;4-1-3(6)2-5/h6-7H,4H2,1-3H3;3-6H,1-2H2.
What are the key properties of 2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol?
2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol has a molecular weight of 244.22 g/mol, XLogP of -0.41, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl dihydrogen phosphite;propane-1,2,3-triol is sourced from PubChem (CID 88867821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).