3-diethoxyphosphorylnon-1-en-4-ol

C13H27O4P — CID 100967856

IUPAC3-diethoxyphosphorylnon-1-en-4-ol
SMILESC=CC(C(O)CCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C13H27O4P/c1-5-9-10-11-12(14)13(6-2)18(15,16-7-3)17-8-4/h6,12-14H,2,5,7-11H2,1,3-4H3
InChIKeyGNDVBNSDULHBNT-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.75
Rot. Bonds11

About 3-diethoxyphosphorylnon-1-en-4-ol

3-diethoxyphosphorylnon-1-en-4-ol (PubChem CID 100967856) has the molecular formula C13H27O4P and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-diethoxyphosphorylnon-1-en-4-ol.

Molecular Properties

Compound Name3-diethoxyphosphorylnon-1-en-4-ol
PubChem CID100967856
Molecular FormulaC13H27O4P
Molecular Weight278.33 g/mol
Exact Mass278.16
IUPAC Name3-diethoxyphosphorylnon-1-en-4-ol
SMILESC=CC(C(O)CCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C13H27O4P/c1-5-9-10-11-12(14)13(6-2)18(15,16-7-3)17-8-4/h6,12-14H,2,5,7-11H2,1,3-4H3
InChIKeyGNDVBNSDULHBNT-UHFFFAOYSA-N
XLogP3.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-diethoxyphosphorylnon-1-en-4-ol?
The IUPAC name of 3-diethoxyphosphorylnon-1-en-4-ol (CID 100967856) is 3-diethoxyphosphorylnon-1-en-4-ol.
What is the SMILES notation for 3-diethoxyphosphorylnon-1-en-4-ol?
The canonical SMILES for 3-diethoxyphosphorylnon-1-en-4-ol is C=CC(C(O)CCCCC)P(=O)(OCC)OCC.
What is the InChIKey of 3-diethoxyphosphorylnon-1-en-4-ol?
The InChIKey is GNDVBNSDULHBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O4P/c1-5-9-10-11-12(14)13(6-2)18(15,16-7-3)17-8-4/h6,12-14H,2,5,7-11H2,1,3-4H3.
What are the key properties of 3-diethoxyphosphorylnon-1-en-4-ol?
3-diethoxyphosphorylnon-1-en-4-ol has a molecular weight of 278.33 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylnon-1-en-4-ol is sourced from PubChem (CID 100967856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).