(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene

C11H21O3P — CID 139664435

IUPAC(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
SMILESC/C=C(/C=C/P(=O)(OCC)OCC)CC
InChIInChI=1S/C11H21O3P/c1-5-11(6-2)9-10-15(12,13-7-3)14-8-4/h5,9-10H,6-8H2,1-4H3/b10-9+,11-5+
InChIKeyLZOLWDPSRNLVQO-PNGXCIJNSA-N
MW232.26 g/mol
LogP4.12
Rot. Bonds7

About (1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene

(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene (PubChem CID 139664435) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is (1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
PubChem CID139664435
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene
SMILESC/C=C(/C=C/P(=O)(OCC)OCC)CC
InChIInChI=1S/C11H21O3P/c1-5-11(6-2)9-10-15(12,13-7-3)14-8-4/h5,9-10H,6-8H2,1-4H3/b10-9+,11-5+
InChIKeyLZOLWDPSRNLVQO-PNGXCIJNSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 54.12
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

(1E,3E)-4-diethoxyphosphoryl-2-methylbuta-1,3-dien-1-ol
CID 15453808
1-diethoxyphosphoryl-3-methylbut-1-ene
CID 71407469
CID 134857162
CID 134857162
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
(E)-1-(4-bromophenyl)-3-diethoxyphosphorylprop-2-en-1-one
CID 163323388
(1E,3E)-1-diethoxyphosphorylhexa-1,3-diene
CID 13450210
N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide
CID 15270678
(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol
CID 11087304
[(E)-2-diethoxyphosphorylethenoxy]-trimethylsilane
CID 23415625
1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene
CID 123175625
(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene
CID 135026457
1-diethoxyphosphoryl-3-methyl-3-nitrosobut-1-ene
CID 174930792

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene?
The IUPAC name of (1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene (CID 139664435) is (1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene.
What is the SMILES notation for (1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene?
The canonical SMILES for (1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene is C/C=C(/C=C/P(=O)(OCC)OCC)CC.
What is the InChIKey of (1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene?
The InChIKey is LZOLWDPSRNLVQO-PNGXCIJNSA-N. The full InChI is InChI=1S/C11H21O3P/c1-5-11(6-2)9-10-15(12,13-7-3)14-8-4/h5,9-10H,6-8H2,1-4H3/b10-9+,11-5+.
What are the key properties of (1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene?
(1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene has a molecular weight of 232.26 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-diethoxyphosphoryl-3-ethylpenta-1,3-diene is sourced from PubChem (CID 139664435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).