4-hydroxybutyl dihydrogen phosphite

C4H11O4P — CID 21493257

IUPAC4-hydroxybutyl dihydrogen phosphite
SMILESOCCCCOP(O)O
InChIInChI=1S/C4H11O4P/c5-3-1-2-4-8-9(6)7/h5-7H,1-4H2
InChIKeyWFJLSTKWBKWXHV-UHFFFAOYSA-N
MW154.10 g/mol
LogP-0.01
Rot. Bonds5

About 4-hydroxybutyl dihydrogen phosphite

4-hydroxybutyl dihydrogen phosphite (PubChem CID 21493257) has the molecular formula C4H11O4P and a molecular weight of 154.10 g/mol. Its IUPAC name is 4-hydroxybutyl dihydrogen phosphite.

Molecular Properties

Compound Name4-hydroxybutyl dihydrogen phosphite
PubChem CID21493257
Molecular FormulaC4H11O4P
Molecular Weight154.10 g/mol
Exact Mass154.04
IUPAC Name4-hydroxybutyl dihydrogen phosphite
SMILESOCCCCOP(O)O
InChIInChI=1S/C4H11O4P/c5-3-1-2-4-8-9(6)7/h5-7H,1-4H2
InChIKeyWFJLSTKWBKWXHV-UHFFFAOYSA-N
XLogP-0.01
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutyl dihydrogen phosphite?
The IUPAC name of 4-hydroxybutyl dihydrogen phosphite (CID 21493257) is 4-hydroxybutyl dihydrogen phosphite.
What is the SMILES notation for 4-hydroxybutyl dihydrogen phosphite?
The canonical SMILES for 4-hydroxybutyl dihydrogen phosphite is OCCCCOP(O)O.
What is the InChIKey of 4-hydroxybutyl dihydrogen phosphite?
The InChIKey is WFJLSTKWBKWXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P/c5-3-1-2-4-8-9(6)7/h5-7H,1-4H2.
What are the key properties of 4-hydroxybutyl dihydrogen phosphite?
4-hydroxybutyl dihydrogen phosphite has a molecular weight of 154.10 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutyl dihydrogen phosphite is sourced from PubChem (CID 21493257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).