2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene

C11H20ClO3P — CID 71321952

IUPAC2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene
SMILESCCOP(=O)(C=C(Cl)C(C)=C(C)C)OCC
InChIInChI=1S/C11H20ClO3P/c1-6-14-16(13,15-7-2)8-11(12)10(5)9(3)4/h8H,6-7H2,1-5H3
InChIKeyLUOHGUDUVCFMEY-UHFFFAOYSA-N
MW266.70 g/mol
LogP4.69
Rot. Bonds6

About 2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene

2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene (PubChem CID 71321952) has the molecular formula C11H20ClO3P and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene.

Molecular Properties

Compound Name2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene
PubChem CID71321952
Molecular FormulaC11H20ClO3P
Molecular Weight266.70 g/mol
Exact Mass266.08
IUPAC Name2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene
SMILESCCOP(=O)(C=C(Cl)C(C)=C(C)C)OCC
InChIInChI=1S/C11H20ClO3P/c1-6-14-16(13,15-7-2)8-11(12)10(5)9(3)4/h8H,6-7H2,1-5H3
InChIKeyLUOHGUDUVCFMEY-UHFFFAOYSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene?
The IUPAC name of 2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene (CID 71321952) is 2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene.
What is the SMILES notation for 2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene?
The canonical SMILES for 2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene is CCOP(=O)(C=C(Cl)C(C)=C(C)C)OCC.
What is the InChIKey of 2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene?
The InChIKey is LUOHGUDUVCFMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClO3P/c1-6-14-16(13,15-7-2)8-11(12)10(5)9(3)4/h8H,6-7H2,1-5H3.
What are the key properties of 2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene?
2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene has a molecular weight of 266.70 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-diethoxyphosphoryl-3,4-dimethylpenta-1,3-diene is sourced from PubChem (CID 71321952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).