dipropan-2-yl hydrogen phosphite

C6H15O3P — CID 558181

IUPACdipropan-2-yl hydrogen phosphite
SMILESCC(C)OP(O)OC(C)C
InChIInChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-7H,1-4H3
InChIKeyNFORZJQPTUSMRL-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.06
Rot. Bonds4

About dipropan-2-yl hydrogen phosphite

dipropan-2-yl hydrogen phosphite (PubChem CID 558181) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is dipropan-2-yl hydrogen phosphite.

Molecular Properties

Compound Namedipropan-2-yl hydrogen phosphite
PubChem CID558181
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Namedipropan-2-yl hydrogen phosphite
SMILESCC(C)OP(O)OC(C)C
InChIInChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-7H,1-4H3
InChIKeyNFORZJQPTUSMRL-UHFFFAOYSA-N
XLogP2.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 dipropan-2-yl hydrogen phosphite?
The IUPAC name of dipropan-2-yl hydrogen phosphite (CID 558181) is dipropan-2-yl hydrogen phosphite.
What is the SMILES notation for dipropan-2-yl hydrogen phosphite?
The canonical SMILES for dipropan-2-yl hydrogen phosphite is CC(C)OP(O)OC(C)C.
What is the InChIKey of dipropan-2-yl hydrogen phosphite?
The InChIKey is NFORZJQPTUSMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-7H,1-4H3.
What are the key properties of dipropan-2-yl hydrogen phosphite?
dipropan-2-yl hydrogen phosphite has a molecular weight of 166.16 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl hydrogen phosphite is sourced from PubChem (CID 558181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).