3-diethoxyphosphoryl-2-methyloct-1-ene

C13H27O3P — CID 10706610

IUPAC3-diethoxyphosphoryl-2-methyloct-1-ene
SMILESC=C(C)C(CCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C13H27O3P/c1-6-9-10-11-13(12(4)5)17(14,15-7-2)16-8-3/h13H,4,6-11H2,1-3,5H3
InChIKeyQULIWUGAWAYICT-UHFFFAOYSA-N
MW262.33 g/mol
LogP4.78
Rot. Bonds10

About 3-diethoxyphosphoryl-2-methyloct-1-ene

3-diethoxyphosphoryl-2-methyloct-1-ene (PubChem CID 10706610) has the molecular formula C13H27O3P and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-2-methyloct-1-ene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-2-methyloct-1-ene
PubChem CID10706610
Molecular FormulaC13H27O3P
Molecular Weight262.33 g/mol
Exact Mass262.17
IUPAC Name3-diethoxyphosphoryl-2-methyloct-1-ene
SMILESC=C(C)C(CCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C13H27O3P/c1-6-9-10-11-13(12(4)5)17(14,15-7-2)16-8-3/h13H,4,6-11H2,1-3,5H3
InChIKeyQULIWUGAWAYICT-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diethoxyphosphoryl-2-methyloct-1-ene?
The IUPAC name of 3-diethoxyphosphoryl-2-methyloct-1-ene (CID 10706610) is 3-diethoxyphosphoryl-2-methyloct-1-ene.
What is the SMILES notation for 3-diethoxyphosphoryl-2-methyloct-1-ene?
The canonical SMILES for 3-diethoxyphosphoryl-2-methyloct-1-ene is C=C(C)C(CCCCC)P(=O)(OCC)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-2-methyloct-1-ene?
The InChIKey is QULIWUGAWAYICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O3P/c1-6-9-10-11-13(12(4)5)17(14,15-7-2)16-8-3/h13H,4,6-11H2,1-3,5H3.
What are the key properties of 3-diethoxyphosphoryl-2-methyloct-1-ene?
3-diethoxyphosphoryl-2-methyloct-1-ene has a molecular weight of 262.33 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-2-methyloct-1-ene is sourced from PubChem (CID 10706610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).