but-1-enyl-methyl-methylidenephosphanium

C6H12P+ — CID 91575164

IUPACbut-1-enyl-methyl-methylidenephosphanium
SMILESC=[P+](C)C=CCC
InChIInChI=1S/C6H12P/c1-4-5-6-7(2)3/h5-6H,2,4H2,1,3H3/q+1
InChIKeyXCGBQYZFRPNXHS-UHFFFAOYSA-N
MW115.14 g/mol
LogP2.45
Rot. Bonds2

About but-1-enyl-methyl-methylidenephosphanium

but-1-enyl-methyl-methylidenephosphanium (PubChem CID 91575164) has the molecular formula C6H12P+ and a molecular weight of 115.14 g/mol. Its IUPAC name is but-1-enyl-methyl-methylidenephosphanium.

Molecular Properties

Compound Namebut-1-enyl-methyl-methylidenephosphanium
PubChem CID91575164
Molecular FormulaC6H12P+
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Namebut-1-enyl-methyl-methylidenephosphanium
SMILESC=[P+](C)C=CCC
InChIInChI=1S/C6H12P/c1-4-5-6-7(2)3/h5-6H,2,4H2,1,3H3/q+1
InChIKeyXCGBQYZFRPNXHS-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 52.45
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-1-enyl-methyl-methylidenephosphanium?
The IUPAC name of but-1-enyl-methyl-methylidenephosphanium (CID 91575164) is but-1-enyl-methyl-methylidenephosphanium.
What is the SMILES notation for but-1-enyl-methyl-methylidenephosphanium?
The canonical SMILES for but-1-enyl-methyl-methylidenephosphanium is C=[P+](C)C=CCC.
What is the InChIKey of but-1-enyl-methyl-methylidenephosphanium?
The InChIKey is XCGBQYZFRPNXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12P/c1-4-5-6-7(2)3/h5-6H,2,4H2,1,3H3/q+1.
What are the key properties of but-1-enyl-methyl-methylidenephosphanium?
but-1-enyl-methyl-methylidenephosphanium has a molecular weight of 115.14 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl-methyl-methylidenephosphanium is sourced from PubChem (CID 91575164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).