2-dimethylphosphorylbut-1-ene

C6H13OP — CID 59649344

IUPAC2-dimethylphosphorylbut-1-ene
SMILESC=C(CC)P(C)(C)=O
InChIInChI=1S/C6H13OP/c1-5-6(2)8(3,4)7/h2,5H2,1,3-4H3
InChIKeyBYSGSFMCTURAGJ-UHFFFAOYSA-N
MW132.14 g/mol
LogP2.53
Rot. Bonds2

About 2-dimethylphosphorylbut-1-ene

2-dimethylphosphorylbut-1-ene (PubChem CID 59649344) has the molecular formula C6H13OP and a molecular weight of 132.14 g/mol. Its IUPAC name is 2-dimethylphosphorylbut-1-ene.

Molecular Properties

Compound Name2-dimethylphosphorylbut-1-ene
PubChem CID59649344
Molecular FormulaC6H13OP
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name2-dimethylphosphorylbut-1-ene
SMILESC=C(CC)P(C)(C)=O
InChIInChI=1S/C6H13OP/c1-5-6(2)8(3,4)7/h2,5H2,1,3-4H3
InChIKeyBYSGSFMCTURAGJ-UHFFFAOYSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dimethylphosphorylbut-1-ene?
The IUPAC name of 2-dimethylphosphorylbut-1-ene (CID 59649344) is 2-dimethylphosphorylbut-1-ene.
What is the SMILES notation for 2-dimethylphosphorylbut-1-ene?
The canonical SMILES for 2-dimethylphosphorylbut-1-ene is C=C(CC)P(C)(C)=O.
What is the InChIKey of 2-dimethylphosphorylbut-1-ene?
The InChIKey is BYSGSFMCTURAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OP/c1-5-6(2)8(3,4)7/h2,5H2,1,3-4H3.
What are the key properties of 2-dimethylphosphorylbut-1-ene?
2-dimethylphosphorylbut-1-ene has a molecular weight of 132.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphorylbut-1-ene is sourced from PubChem (CID 59649344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).