5-diethoxyphosphoryl-3-methylnona-3,4-diene

C14H27O3P — CID 25215351

IUPAC5-diethoxyphosphoryl-3-methylnona-3,4-diene
SMILESCCCCC(=C=C(C)CC)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O3P/c1-6-10-11-14(12-13(5)7-2)18(15,16-8-3)17-9-4/h6-11H2,1-5H3
InChIKeyGXZCNILQJOEUNQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP5.28
Rot. Bonds9

About 5-diethoxyphosphoryl-3-methylnona-3,4-diene

5-diethoxyphosphoryl-3-methylnona-3,4-diene (PubChem CID 25215351) has the molecular formula C14H27O3P and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-3-methylnona-3,4-diene.

Molecular Properties

Compound Name5-diethoxyphosphoryl-3-methylnona-3,4-diene
PubChem CID25215351
Molecular FormulaC14H27O3P
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Name5-diethoxyphosphoryl-3-methylnona-3,4-diene
SMILESCCCCC(=C=C(C)CC)P(=O)(OCC)OCC
InChIInChI=1S/C14H27O3P/c1-6-10-11-14(12-13(5)7-2)18(15,16-8-3)17-9-4/h6-11H2,1-5H3
InChIKeyGXZCNILQJOEUNQ-UHFFFAOYSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.34
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-diethoxyphosphoryl-3-methylnona-3,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 5-diethoxyphosphoryl-3-methylnona-3,4-diene?
The IUPAC name of 5-diethoxyphosphoryl-3-methylnona-3,4-diene (CID 25215351) is 5-diethoxyphosphoryl-3-methylnona-3,4-diene.
What is the SMILES notation for 5-diethoxyphosphoryl-3-methylnona-3,4-diene?
The canonical SMILES for 5-diethoxyphosphoryl-3-methylnona-3,4-diene is CCCCC(=C=C(C)CC)P(=O)(OCC)OCC.
What is the InChIKey of 5-diethoxyphosphoryl-3-methylnona-3,4-diene?
The InChIKey is GXZCNILQJOEUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O3P/c1-6-10-11-14(12-13(5)7-2)18(15,16-8-3)17-9-4/h6-11H2,1-5H3.
What are the key properties of 5-diethoxyphosphoryl-3-methylnona-3,4-diene?
5-diethoxyphosphoryl-3-methylnona-3,4-diene has a molecular weight of 274.34 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-3-methylnona-3,4-diene is sourced from PubChem (CID 25215351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).