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

C10H19O3P — CID 12863914

IUPAC2-diethoxyphosphoryl-4-methylpenta-2,3-diene
SMILESCCOP(=O)(OCC)C(C)=C=C(C)C
InChIInChI=1S/C10H19O3P/c1-6-12-14(11,13-7-2)10(5)8-9(3)4/h6-7H2,1-5H3
InChIKeyKVXVKZLRPBVNKJ-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.72
Rot. Bonds5

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

2-diethoxyphosphoryl-4-methylpenta-2,3-diene (PubChem CID 12863914) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-4-methylpenta-2,3-diene.

Molecular Properties

Compound Name2-diethoxyphosphoryl-4-methylpenta-2,3-diene
PubChem CID12863914
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name2-diethoxyphosphoryl-4-methylpenta-2,3-diene
SMILESCCOP(=O)(OCC)C(C)=C=C(C)C
InChIInChI=1S/C10H19O3P/c1-6-12-14(11,13-7-2)10(5)8-9(3)4/h6-7H2,1-5H3
InChIKeyKVXVKZLRPBVNKJ-UHFFFAOYSA-N
XLogP3.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-4-methylpenta-2,3-diene?
The IUPAC name of 2-diethoxyphosphoryl-4-methylpenta-2,3-diene (CID 12863914) is 2-diethoxyphosphoryl-4-methylpenta-2,3-diene.
What is the SMILES notation for 2-diethoxyphosphoryl-4-methylpenta-2,3-diene?
The canonical SMILES for 2-diethoxyphosphoryl-4-methylpenta-2,3-diene is CCOP(=O)(OCC)C(C)=C=C(C)C.
What is the InChIKey of 2-diethoxyphosphoryl-4-methylpenta-2,3-diene?
The InChIKey is KVXVKZLRPBVNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O3P/c1-6-12-14(11,13-7-2)10(5)8-9(3)4/h6-7H2,1-5H3.
What are the key properties of 2-diethoxyphosphoryl-4-methylpenta-2,3-diene?
2-diethoxyphosphoryl-4-methylpenta-2,3-diene has a molecular weight of 218.23 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-4-methylpenta-2,3-diene is sourced from PubChem (CID 12863914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).