4-diethoxyphosphoryl-2-methylocta-2,3-diene

C13H25O3P — CID 25215108

IUPAC4-diethoxyphosphoryl-2-methylocta-2,3-diene
SMILESCCCCC(=C=C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C13H25O3P/c1-6-9-10-13(11-12(4)5)17(14,15-7-2)16-8-3/h6-10H2,1-5H3
InChIKeyIMHDSYLRXHCRHK-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.89
Rot. Bonds8

About 4-diethoxyphosphoryl-2-methylocta-2,3-diene

4-diethoxyphosphoryl-2-methylocta-2,3-diene (PubChem CID 25215108) has the molecular formula C13H25O3P and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-2-methylocta-2,3-diene.

Molecular Properties

Compound Name4-diethoxyphosphoryl-2-methylocta-2,3-diene
PubChem CID25215108
Molecular FormulaC13H25O3P
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name4-diethoxyphosphoryl-2-methylocta-2,3-diene
SMILESCCCCC(=C=C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C13H25O3P/c1-6-9-10-13(11-12(4)5)17(14,15-7-2)16-8-3/h6-10H2,1-5H3
InChIKeyIMHDSYLRXHCRHK-UHFFFAOYSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl (2-cyclohexylideneethenyl)phosphonate
CID 12473820
1-Chloro-1-diethoxyphosphoryl-3-methylpenta-1,2-diene
CID 134987925
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
2-Diethoxyphosphoryl-3,3-dimethylbut-1-ene
CID 23421664
(3E)-3-[diethoxyphosphoryl(iodo)methylidene]heptane
CID 10499626
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
(Z)-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10633435
[Chloro(diethoxyphosphoryl)methylidene]cyclopentane
CID 10824734
(3E)-3-[bromo(diethoxyphosphoryl)methylidene]heptane
CID 11438817
Butoxy-hex-1-en-2-yl-oxophosphanium
CID 12184504
3-(Diethoxyphosphorylmethyl)hepta-1,2-diene
CID 12533983
5-Diethoxyphosphoryl-2-methylhexa-2,3-diene
CID 12534457

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-2-methylocta-2,3-diene?
The IUPAC name of 4-diethoxyphosphoryl-2-methylocta-2,3-diene (CID 25215108) is 4-diethoxyphosphoryl-2-methylocta-2,3-diene.
What is the SMILES notation for 4-diethoxyphosphoryl-2-methylocta-2,3-diene?
The canonical SMILES for 4-diethoxyphosphoryl-2-methylocta-2,3-diene is CCCCC(=C=C(C)C)P(=O)(OCC)OCC.
What is the InChIKey of 4-diethoxyphosphoryl-2-methylocta-2,3-diene?
The InChIKey is IMHDSYLRXHCRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O3P/c1-6-9-10-13(11-12(4)5)17(14,15-7-2)16-8-3/h6-10H2,1-5H3.
What are the key properties of 4-diethoxyphosphoryl-2-methylocta-2,3-diene?
4-diethoxyphosphoryl-2-methylocta-2,3-diene has a molecular weight of 260.31 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-2-methylocta-2,3-diene is sourced from PubChem (CID 25215108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).