sodium dipropan-2-yl phosphite

C6H14NaO3P — CID 23680313

IUPACsodium dipropan-2-yl phosphite
SMILESCC(C)OP([O-])OC(C)C.[Na+]
InChIInChI=1S/C6H14O3P.Na/c1-5(2)8-10(7)9-6(3)4;/h5-6H,1-4H3;/q-1;+1
InChIKeyMTKUWDYQPVIKLB-UHFFFAOYSA-N
MW188.14 g/mol
LogP-1.57
Rot. Bonds4

About sodium dipropan-2-yl phosphite

sodium dipropan-2-yl phosphite (PubChem CID 23680313) has the molecular formula C6H14NaO3P and a molecular weight of 188.14 g/mol. Its IUPAC name is sodium dipropan-2-yl phosphite.

Molecular Properties

Compound Namesodium dipropan-2-yl phosphite
PubChem CID23680313
Molecular FormulaC6H14NaO3P
Molecular Weight188.14 g/mol
Exact Mass188.06
IUPAC Namesodium dipropan-2-yl phosphite
SMILESCC(C)OP([O-])OC(C)C.[Na+]
InChIInChI=1S/C6H14O3P.Na/c1-5(2)8-10(7)9-6(3)4;/h5-6H,1-4H3;/q-1;+1
InChIKeyMTKUWDYQPVIKLB-UHFFFAOYSA-N
XLogP-1.57
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium dipropan-2-yl phosphite?
The IUPAC name of sodium dipropan-2-yl phosphite (CID 23680313) is sodium dipropan-2-yl phosphite.
What is the SMILES notation for sodium dipropan-2-yl phosphite?
The canonical SMILES for sodium dipropan-2-yl phosphite is CC(C)OP([O-])OC(C)C.[Na+].
What is the InChIKey of sodium dipropan-2-yl phosphite?
The InChIKey is MTKUWDYQPVIKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3P.Na/c1-5(2)8-10(7)9-6(3)4;/h5-6H,1-4H3;/q-1;+1.
What are the key properties of sodium dipropan-2-yl phosphite?
sodium dipropan-2-yl phosphite has a molecular weight of 188.14 g/mol, XLogP of -1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dipropan-2-yl phosphite is sourced from PubChem (CID 23680313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).