2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene

C11H21O4P — CID 11791526

IUPAC2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene
SMILESCCOP(=O)(OCC)C(=C=C(C)C)COC
InChIInChI=1S/C11H21O4P/c1-6-14-16(12,15-7-2)11(9-13-5)8-10(3)4/h6-7,9H2,1-5H3
InChIKeyLYHCNYCGVRTPST-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.35
Rot. Bonds7

About 2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene

2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene (PubChem CID 11791526) has the molecular formula C11H21O4P and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene
PubChem CID11791526
Molecular FormulaC11H21O4P
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene
SMILESCCOP(=O)(OCC)C(=C=C(C)C)COC
InChIInChI=1S/C11H21O4P/c1-6-14-16(12,15-7-2)11(9-13-5)8-10(3)4/h6-7,9H2,1-5H3
InChIKeyLYHCNYCGVRTPST-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene?
The IUPAC name of 2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene (CID 11791526) is 2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene.
What is the SMILES notation for 2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene?
The canonical SMILES for 2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene is CCOP(=O)(OCC)C(=C=C(C)C)COC.
What is the InChIKey of 2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene?
The InChIKey is LYHCNYCGVRTPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O4P/c1-6-14-16(12,15-7-2)11(9-13-5)8-10(3)4/h6-7,9H2,1-5H3.
What are the key properties of 2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene?
2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene has a molecular weight of 248.26 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1-methoxy-4-methylpenta-2,3-diene is sourced from PubChem (CID 11791526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).