3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite

C6H13O5P — CID 174354035

IUPAC3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite
SMILESOP(O)OCCCOCC1CO1
InChIInChI=1S/C6H13O5P/c7-12(8)11-3-1-2-9-4-6-5-10-6/h6-8H,1-5H2
InChIKeyQAGSSWSGZMCZFI-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.02
Rot. Bonds7

About 3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite

3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite (PubChem CID 174354035) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite
PubChem CID174354035
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite
SMILESOP(O)OCCCOCC1CO1
InChIInChI=1S/C6H13O5P/c7-12(8)11-3-1-2-9-4-6-5-10-6/h6-8H,1-5H2
InChIKeyQAGSSWSGZMCZFI-UHFFFAOYSA-N
XLogP0.02
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
(2R)-2-(3-methoxypropoxymethyl)oxirane
CID 130493223
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-[2-[2-(cyclopropylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 89079137
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite?
The IUPAC name of 3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite (CID 174354035) is 3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite.
What is the SMILES notation for 3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite?
The canonical SMILES for 3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite is OP(O)OCCCOCC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite?
The InChIKey is QAGSSWSGZMCZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c7-12(8)11-3-1-2-9-4-6-5-10-6/h6-8H,1-5H2.
What are the key properties of 3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite?
3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite has a molecular weight of 196.14 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxy)propyl dihydrogen phosphite is sourced from PubChem (CID 174354035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).