diethyl propan-2-yl phosphite

C7H17O3P — CID 12561585

IUPACdiethyl propan-2-yl phosphite
SMILESCCOP(OCC)OC(C)C
InChIInChI=1S/C7H17O3P/c1-5-8-11(9-6-2)10-7(3)4/h7H,5-6H2,1-4H3
InChIKeyPWOMXBLRTIROCA-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.71
Rot. Bonds6

About diethyl propan-2-yl phosphite

diethyl propan-2-yl phosphite (PubChem CID 12561585) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is diethyl propan-2-yl phosphite.

Molecular Properties

Compound Namediethyl propan-2-yl phosphite
PubChem CID12561585
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Namediethyl propan-2-yl phosphite
SMILESCCOP(OCC)OC(C)C
InChIInChI=1S/C7H17O3P/c1-5-8-11(9-6-2)10-7(3)4/h7H,5-6H2,1-4H3
InChIKeyPWOMXBLRTIROCA-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.71
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 diethyl propan-2-yl phosphite?
The IUPAC name of diethyl propan-2-yl phosphite (CID 12561585) is diethyl propan-2-yl phosphite.
What is the SMILES notation for diethyl propan-2-yl phosphite?
The canonical SMILES for diethyl propan-2-yl phosphite is CCOP(OCC)OC(C)C.
What is the InChIKey of diethyl propan-2-yl phosphite?
The InChIKey is PWOMXBLRTIROCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-5-8-11(9-6-2)10-7(3)4/h7H,5-6H2,1-4H3.
What are the key properties of diethyl propan-2-yl phosphite?
diethyl propan-2-yl phosphite has a molecular weight of 180.18 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl propan-2-yl phosphite is sourced from PubChem (CID 12561585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).