(1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene

C11H21O4P — CID 11086109

IUPAC(1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene
SMILESCCOP(=O)(OCC)/C(C=C(C)C)=C\OC
InChIInChI=1S/C11H21O4P/c1-6-14-16(12,15-7-2)11(9-13-5)8-10(3)4/h8-9H,6-7H2,1-5H3/b11-9-
InChIKeyPYILNSCUMUSCFF-LUAWRHEFSA-N
MW248.26 g/mol
LogP3.71
Rot. Bonds7

About (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene

(1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene (PubChem CID 11086109) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name(1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene
PubChem CID11086109
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name(1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene
SMILESCCOP(=O)(OCC)/C(C=C(C)C)=C\OC
InChIInChI=1S/C11H21O4P/c1-6-14-16(12,15-7-2)11(9-13-5)8-10(3)4/h8-9H,6-7H2,1-5H3/b11-9-
InChIKeyPYILNSCUMUSCFF-LUAWRHEFSA-N
XLogP3.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-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

(E)-3-diethoxyphosphoryl-1-methoxy-2-methylprop-1-ene
CID 122205508
(1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene
CID 11333434
1-Diethoxyphosphoryl-4-methylpenta-1,3-diene
CID 72805450
2-Dimethoxyphosphoryloxepine
CID 176142691
(1E,3E)-1-diethoxyphosphoryl-4-methoxy-2-methylbuta-1,3-diene
CID 10857365
dimethyl [(2Z)-5-methylhexa-2,4-dien-2-yl] phosphate
CID 11138631
2-Diethoxyphosphoryl-3-methoxy-4-methylpenta-1,3-diene
CID 12591885
2-Dipropoxyphosphoryl-3-methoxy-4-methylpenta-1,3-diene
CID 12591886
(4E)-4-diethoxyphosphoryl-3-methoxy-2-methylhexa-2,4-diene
CID 12890474
(E)-3-diethoxyphosphoryl-1-ethoxy-2-methylprop-1-ene
CID 21765928
(Z)-3-diethoxyphosphoryl-1-ethoxy-2-methylprop-1-ene
CID 21765929
[(1Z)-2-chloro-4-methylpenta-1,3-dienyl] diethyl phosphate
CID 57522996

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene?
The IUPAC name of (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene (CID 11086109) is (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene.
What is the SMILES notation for (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene?
The canonical SMILES for (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene is CCOP(=O)(OCC)/C(C=C(C)C)=C\OC.
What is the InChIKey of (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene?
The InChIKey is PYILNSCUMUSCFF-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H21O4P/c1-6-14-16(12,15-7-2)11(9-13-5)8-10(3)4/h8-9H,6-7H2,1-5H3/b11-9-.
What are the key properties of (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene?
(1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene has a molecular weight of 248.26 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-diethoxyphosphoryl-1-methoxy-4-methylpenta-1,3-diene is sourced from PubChem (CID 11086109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).