(4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene

C13H25O3P — CID 10491580

IUPAC(4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene
SMILESCCC/C=C(/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/h10-11H,6-9H2,1-5H3/b13-10-
InChIKeyNELRUZFEGKJGCS-RAXLEYEMSA-N
MW260.31 g/mol
LogP4.90
Rot. Bonds8

About (4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene

(4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene (PubChem CID 10491580) has the molecular formula C13H25O3P and a molecular weight of 260.31 g/mol. Its IUPAC name is (4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene.

Molecular Properties

Compound Name(4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene
PubChem CID10491580
Molecular FormulaC13H25O3P
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name(4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene
SMILESCCC/C=C(/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/h10-11H,6-9H2,1-5H3/b13-10-
InChIKeyNELRUZFEGKJGCS-RAXLEYEMSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
Diethoxyphosphorylcyclopentene
CID 10774533
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003
(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
CID 134870879
(E)-4-diethoxyphosphoryloct-4-ene
CID 12160036
(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene
CID 89272554
(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
CID 10589442
butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11172316
ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11287176
(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
CID 13165582
(E)-2-diethoxyphosphoryl-4-methylpent-2-ene
CID 13613004

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene?
The IUPAC name of (4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene (CID 10491580) is (4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene.
What is the SMILES notation for (4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene?
The canonical SMILES for (4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene is CCC/C=C(/C=C(C)C)P(=O)(OCC)OCC.
What is the InChIKey of (4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene?
The InChIKey is NELRUZFEGKJGCS-RAXLEYEMSA-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/h10-11H,6-9H2,1-5H3/b13-10-.
What are the key properties of (4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene?
(4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene has a molecular weight of 260.31 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-diethoxyphosphoryl-2-methylocta-2,4-diene is sourced from PubChem (CID 10491580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).