3-(diethoxyphosphorylmethylidene)hexane

C11H23O3P — CID 11503392

IUPAC3-(diethoxyphosphorylmethylidene)hexane
SMILESCCCC(=CP(=O)(OCC)OCC)CC
InChIInChI=1S/C11H23O3P/c1-5-9-11(6-2)10-15(12,13-7-3)14-8-4/h10H,5-9H2,1-4H3
InChIKeyUNGUKBCKCOULTP-UHFFFAOYSA-N
MW234.28 g/mol
LogP4.35
Rot. Bonds8

About 3-(diethoxyphosphorylmethylidene)hexane

3-(diethoxyphosphorylmethylidene)hexane (PubChem CID 11503392) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethylidene)hexane.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethylidene)hexane
PubChem CID11503392
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name3-(diethoxyphosphorylmethylidene)hexane
SMILESCCCC(=CP(=O)(OCC)OCC)CC
InChIInChI=1S/C11H23O3P/c1-5-9-11(6-2)10-15(12,13-7-3)14-8-4/h10H,5-9H2,1-4H3
InChIKeyUNGUKBCKCOULTP-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 54.35
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 3-(diethoxyphosphorylmethylidene)hexane?
The IUPAC name of 3-(diethoxyphosphorylmethylidene)hexane (CID 11503392) is 3-(diethoxyphosphorylmethylidene)hexane.
What is the SMILES notation for 3-(diethoxyphosphorylmethylidene)hexane?
The canonical SMILES for 3-(diethoxyphosphorylmethylidene)hexane is CCCC(=CP(=O)(OCC)OCC)CC.
What is the InChIKey of 3-(diethoxyphosphorylmethylidene)hexane?
The InChIKey is UNGUKBCKCOULTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3P/c1-5-9-11(6-2)10-15(12,13-7-3)14-8-4/h10H,5-9H2,1-4H3.
What are the key properties of 3-(diethoxyphosphorylmethylidene)hexane?
3-(diethoxyphosphorylmethylidene)hexane has a molecular weight of 234.28 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxyphosphorylmethylidene)hexane is sourced from PubChem (CID 11503392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).