(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene

C14H27O3P — CID 11780739

IUPAC(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene
SMILESCCOP(=O)(C/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C14H27O3P/c1-6-16-18(15,17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11+
InChIKeyUHOQIIGZRUGIBK-SDNWHVSQSA-N
MW274.34 g/mol
LogP4.95
Rot. Bonds9

About (2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene

(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene (PubChem CID 11780739) has the molecular formula C14H27O3P and a molecular weight of 274.34 g/mol. Its IUPAC name is (2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene
PubChem CID11780739
Molecular FormulaC14H27O3P
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Name(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene
SMILESCCOP(=O)(C/C=C(\C)CCC=C(C)C)OCC
InChIInChI=1S/C14H27O3P/c1-6-16-18(15,17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11+
InChIKeyUHOQIIGZRUGIBK-SDNWHVSQSA-N
XLogP4.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene (CID 11780739) is (2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene is CCOP(=O)(C/C=C(\C)CCC=C(C)C)OCC.
What is the InChIKey of (2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene?
The InChIKey is UHOQIIGZRUGIBK-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H27O3P/c1-6-16-18(15,17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11H,6-8,10,12H2,1-5H3/b14-11+.
What are the key properties of (2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene?
(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene has a molecular weight of 274.34 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 11780739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).