4-phosphorosobutanal

C4H7O2P — CID 175939473

IUPAC4-phosphorosobutanal
SMILESO=CCCCP=O
InChIInChI=1S/C4H7O2P/c5-3-1-2-4-7-6/h3H,1-2,4H2
InChIKeyDKQPGMFVVPOGOG-UHFFFAOYSA-N
MW118.07 g/mol
LogP1.26
Rot. Bonds4

About 4-phosphorosobutanal

4-phosphorosobutanal (PubChem CID 175939473) has the molecular formula C4H7O2P and a molecular weight of 118.07 g/mol. Its IUPAC name is 4-phosphorosobutanal.

Molecular Properties

Compound Name4-phosphorosobutanal
PubChem CID175939473
Molecular FormulaC4H7O2P
Molecular Weight118.07 g/mol
Exact Mass118.02
IUPAC Name4-phosphorosobutanal
SMILESO=CCCCP=O
InChIInChI=1S/C4H7O2P/c5-3-1-2-4-7-6/h3H,1-2,4H2
InChIKeyDKQPGMFVVPOGOG-UHFFFAOYSA-N
XLogP1.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.07
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-bromobutanal
CID 3016005
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CID 173083540
butanal;pentanedial
CID 87991120

Frequently Asked Questions

What is the IUPAC name of 4-phosphorosobutanal?
The IUPAC name of 4-phosphorosobutanal (CID 175939473) is 4-phosphorosobutanal.
What is the SMILES notation for 4-phosphorosobutanal?
The canonical SMILES for 4-phosphorosobutanal is O=CCCCP=O.
What is the InChIKey of 4-phosphorosobutanal?
The InChIKey is DKQPGMFVVPOGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2P/c5-3-1-2-4-7-6/h3H,1-2,4H2.
What are the key properties of 4-phosphorosobutanal?
4-phosphorosobutanal has a molecular weight of 118.07 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphorosobutanal is sourced from PubChem (CID 175939473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).