1-dimethoxyphosphoryl-3-methylpenta-1,2-diene

C8H15O3P — CID 12513178

IUPAC1-dimethoxyphosphoryl-3-methylpenta-1,2-diene
SMILESCCC(C)=C=CP(=O)(OC)OC
InChIInChI=1S/C8H15O3P/c1-5-8(2)6-7-12(9,10-3)11-4/h7H,5H2,1-4H3
InChIKeyUFMXVSDHUDBRKR-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.94
Rot. Bonds4

About 1-dimethoxyphosphoryl-3-methylpenta-1,2-diene

1-dimethoxyphosphoryl-3-methylpenta-1,2-diene (PubChem CID 12513178) has the molecular formula C8H15O3P and a molecular weight of 190.18 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-3-methylpenta-1,2-diene.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-3-methylpenta-1,2-diene
PubChem CID12513178
Molecular FormulaC8H15O3P
Molecular Weight190.18 g/mol
Exact Mass190.08
IUPAC Name1-dimethoxyphosphoryl-3-methylpenta-1,2-diene
SMILESCCC(C)=C=CP(=O)(OC)OC
InChIInChI=1S/C8H15O3P/c1-5-8(2)6-7-12(9,10-3)11-4/h7H,5H2,1-4H3
InChIKeyUFMXVSDHUDBRKR-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.94
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 1-dimethoxyphosphoryl-3-methylpenta-1,2-diene?
The IUPAC name of 1-dimethoxyphosphoryl-3-methylpenta-1,2-diene (CID 12513178) is 1-dimethoxyphosphoryl-3-methylpenta-1,2-diene.
What is the SMILES notation for 1-dimethoxyphosphoryl-3-methylpenta-1,2-diene?
The canonical SMILES for 1-dimethoxyphosphoryl-3-methylpenta-1,2-diene is CCC(C)=C=CP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-3-methylpenta-1,2-diene?
The InChIKey is UFMXVSDHUDBRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O3P/c1-5-8(2)6-7-12(9,10-3)11-4/h7H,5H2,1-4H3.
What are the key properties of 1-dimethoxyphosphoryl-3-methylpenta-1,2-diene?
1-dimethoxyphosphoryl-3-methylpenta-1,2-diene has a molecular weight of 190.18 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-3-methylpenta-1,2-diene is sourced from PubChem (CID 12513178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).