5-(diethoxyphosphorylmethylidene)nonane

C14H29O3P — CID 10660090

IUPAC5-(diethoxyphosphorylmethylidene)nonane
SMILESCCCCC(=CP(=O)(OCC)OCC)CCCC
InChIInChI=1S/C14H29O3P/c1-5-9-11-14(12-10-6-2)13-18(15,16-7-3)17-8-4/h13H,5-12H2,1-4H3
InChIKeyVLAJDAYWIUMJHR-UHFFFAOYSA-N
MW276.36 g/mol
LogP5.52
Rot. Bonds11

About 5-(diethoxyphosphorylmethylidene)nonane

5-(diethoxyphosphorylmethylidene)nonane (PubChem CID 10660090) has the molecular formula C14H29O3P and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-(diethoxyphosphorylmethylidene)nonane.

Molecular Properties

Compound Name5-(diethoxyphosphorylmethylidene)nonane
PubChem CID10660090
Molecular FormulaC14H29O3P
Molecular Weight276.36 g/mol
Exact Mass276.19
IUPAC Name5-(diethoxyphosphorylmethylidene)nonane
SMILESCCCCC(=CP(=O)(OCC)OCC)CCCC
InChIInChI=1S/C14H29O3P/c1-5-9-11-14(12-10-6-2)13-18(15,16-7-3)17-8-4/h13H,5-12H2,1-4H3
InChIKeyVLAJDAYWIUMJHR-UHFFFAOYSA-N
XLogP5.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.36
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethoxyphosphorylmethylidene)nonane?
The IUPAC name of 5-(diethoxyphosphorylmethylidene)nonane (CID 10660090) is 5-(diethoxyphosphorylmethylidene)nonane.
What is the SMILES notation for 5-(diethoxyphosphorylmethylidene)nonane?
The canonical SMILES for 5-(diethoxyphosphorylmethylidene)nonane is CCCCC(=CP(=O)(OCC)OCC)CCCC.
What is the InChIKey of 5-(diethoxyphosphorylmethylidene)nonane?
The InChIKey is VLAJDAYWIUMJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O3P/c1-5-9-11-14(12-10-6-2)13-18(15,16-7-3)17-8-4/h13H,5-12H2,1-4H3.
What are the key properties of 5-(diethoxyphosphorylmethylidene)nonane?
5-(diethoxyphosphorylmethylidene)nonane has a molecular weight of 276.36 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxyphosphorylmethylidene)nonane is sourced from PubChem (CID 10660090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).