8-diethoxyphosphoryl-2,6-dimethyloct-2-ene

C14H29O3P — CID 10683877

IUPAC8-diethoxyphosphoryl-2,6-dimethyloct-2-ene
SMILESCCOP(=O)(CCC(C)CCC=C(C)C)OCC
InChIInChI=1S/C14H29O3P/c1-6-16-18(15,17-7-2)12-11-14(5)10-8-9-13(3)4/h9,14H,6-8,10-12H2,1-5H3
InChIKeyXLCKBWPTYBZYFP-UHFFFAOYSA-N
MW276.36 g/mol
LogP5.03
Rot. Bonds10

About 8-diethoxyphosphoryl-2,6-dimethyloct-2-ene

8-diethoxyphosphoryl-2,6-dimethyloct-2-ene (PubChem CID 10683877) has the molecular formula C14H29O3P and a molecular weight of 276.36 g/mol. Its IUPAC name is 8-diethoxyphosphoryl-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name8-diethoxyphosphoryl-2,6-dimethyloct-2-ene
PubChem CID10683877
Molecular FormulaC14H29O3P
Molecular Weight276.36 g/mol
Exact Mass276.19
IUPAC Name8-diethoxyphosphoryl-2,6-dimethyloct-2-ene
SMILESCCOP(=O)(CCC(C)CCC=C(C)C)OCC
InChIInChI=1S/C14H29O3P/c1-6-16-18(15,17-7-2)12-11-14(5)10-8-9-13(3)4/h9,14H,6-8,10-12H2,1-5H3
InChIKeyXLCKBWPTYBZYFP-UHFFFAOYSA-N
XLogP5.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.36
LogP ≤ 55.03
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 8-diethoxyphosphoryl-2,6-dimethyloct-2-ene?
The IUPAC name of 8-diethoxyphosphoryl-2,6-dimethyloct-2-ene (CID 10683877) is 8-diethoxyphosphoryl-2,6-dimethyloct-2-ene.
What is the SMILES notation for 8-diethoxyphosphoryl-2,6-dimethyloct-2-ene?
The canonical SMILES for 8-diethoxyphosphoryl-2,6-dimethyloct-2-ene is CCOP(=O)(CCC(C)CCC=C(C)C)OCC.
What is the InChIKey of 8-diethoxyphosphoryl-2,6-dimethyloct-2-ene?
The InChIKey is XLCKBWPTYBZYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O3P/c1-6-16-18(15,17-7-2)12-11-14(5)10-8-9-13(3)4/h9,14H,6-8,10-12H2,1-5H3.
What are the key properties of 8-diethoxyphosphoryl-2,6-dimethyloct-2-ene?
8-diethoxyphosphoryl-2,6-dimethyloct-2-ene has a molecular weight of 276.36 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diethoxyphosphoryl-2,6-dimethyloct-2-ene is sourced from PubChem (CID 10683877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).