but-2-en-2-yl(dimethyl)phosphane

C6H13P — CID 21042297

IUPACbut-2-en-2-yl(dimethyl)phosphane
SMILESCC=C(C)P(C)C
InChIInChI=1S/C6H13P/c1-5-6(2)7(3)4/h5H,1-4H3
InChIKeyXHRUHXMVBSVGDD-UHFFFAOYSA-N
MW116.14 g/mol
LogP2.65
Rot. Bonds1

About but-2-en-2-yl(dimethyl)phosphane

but-2-en-2-yl(dimethyl)phosphane (PubChem CID 21042297) has the molecular formula C6H13P and a molecular weight of 116.14 g/mol. Its IUPAC name is but-2-en-2-yl(dimethyl)phosphane.

Molecular Properties

Compound Namebut-2-en-2-yl(dimethyl)phosphane
PubChem CID21042297
Molecular FormulaC6H13P
Molecular Weight116.14 g/mol
Exact Mass116.08
IUPAC Namebut-2-en-2-yl(dimethyl)phosphane
SMILESCC=C(C)P(C)C
InChIInChI=1S/C6H13P/c1-5-6(2)7(3)4/h5H,1-4H3
InChIKeyXHRUHXMVBSVGDD-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-en-2-yl(dimethyl)phosphane?
The IUPAC name of but-2-en-2-yl(dimethyl)phosphane (CID 21042297) is but-2-en-2-yl(dimethyl)phosphane.
What is the SMILES notation for but-2-en-2-yl(dimethyl)phosphane?
The canonical SMILES for but-2-en-2-yl(dimethyl)phosphane is CC=C(C)P(C)C.
What is the InChIKey of but-2-en-2-yl(dimethyl)phosphane?
The InChIKey is XHRUHXMVBSVGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13P/c1-5-6(2)7(3)4/h5H,1-4H3.
What are the key properties of but-2-en-2-yl(dimethyl)phosphane?
but-2-en-2-yl(dimethyl)phosphane has a molecular weight of 116.14 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-yl(dimethyl)phosphane is sourced from PubChem (CID 21042297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).