1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene

C8H15OP — CID 23421012

IUPAC1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene
SMILESC=C(C)C(C)=CP(C)(C)=O
InChIInChI=1S/C8H15OP/c1-7(2)8(3)6-10(4,5)9/h6H,1H2,2-5H3
InChIKeyVMOJESYAUAEYBM-UHFFFAOYSA-N
MW158.18 g/mol
LogP3.09
Rot. Bonds2

About 1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene

1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene (PubChem CID 23421012) has the molecular formula C8H15OP and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene.

Molecular Properties

Compound Name1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene
PubChem CID23421012
Molecular FormulaC8H15OP
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene
SMILESC=C(C)C(C)=CP(C)(C)=O
InChIInChI=1S/C8H15OP/c1-7(2)8(3)6-10(4,5)9/h6H,1H2,2-5H3
InChIKeyVMOJESYAUAEYBM-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene?
The IUPAC name of 1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene (CID 23421012) is 1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene.
What is the SMILES notation for 1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene?
The canonical SMILES for 1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene is C=C(C)C(C)=CP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene?
The InChIKey is VMOJESYAUAEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15OP/c1-7(2)8(3)6-10(4,5)9/h6H,1H2,2-5H3.
What are the key properties of 1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene?
1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene has a molecular weight of 158.18 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryl-2,3-dimethylbuta-1,3-diene is sourced from PubChem (CID 23421012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).