but-3-en-2-yl dihydrogen phosphite

C4H9O3P — CID 151571559

IUPACbut-3-en-2-yl dihydrogen phosphite
SMILESC=CC(C)OP(O)O
InChIInChI=1S/C4H9O3P/c1-3-4(2)7-8(5)6/h3-6H,1H2,2H3
InChIKeyUATDSFYFRTXCLB-UHFFFAOYSA-N
MW136.09 g/mol
LogP0.79
Rot. Bonds3

About but-3-en-2-yl dihydrogen phosphite

but-3-en-2-yl dihydrogen phosphite (PubChem CID 151571559) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is but-3-en-2-yl dihydrogen phosphite.

Molecular Properties

Compound Namebut-3-en-2-yl dihydrogen phosphite
PubChem CID151571559
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Namebut-3-en-2-yl dihydrogen phosphite
SMILESC=CC(C)OP(O)O
InChIInChI=1S/C4H9O3P/c1-3-4(2)7-8(5)6/h3-6H,1H2,2H3
InChIKeyUATDSFYFRTXCLB-UHFFFAOYSA-N
XLogP0.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl dihydrogen phosphite?
The IUPAC name of but-3-en-2-yl dihydrogen phosphite (CID 151571559) is but-3-en-2-yl dihydrogen phosphite.
What is the SMILES notation for but-3-en-2-yl dihydrogen phosphite?
The canonical SMILES for but-3-en-2-yl dihydrogen phosphite is C=CC(C)OP(O)O.
What is the InChIKey of but-3-en-2-yl dihydrogen phosphite?
The InChIKey is UATDSFYFRTXCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P/c1-3-4(2)7-8(5)6/h3-6H,1H2,2H3.
What are the key properties of but-3-en-2-yl dihydrogen phosphite?
but-3-en-2-yl dihydrogen phosphite has a molecular weight of 136.09 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl dihydrogen phosphite is sourced from PubChem (CID 151571559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).