trimethyl(prop-2-enyl)phosphanium

C6H14P+ — CID 13271588

IUPACtrimethyl(prop-2-enyl)phosphanium
SMILESC=CC[P+](C)(C)C
InChIInChI=1S/C6H14P/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3/q+1
InChIKeyCVIQBNKEBCPDGJ-UHFFFAOYSA-N
MW117.15 g/mol
LogP2.08
Rot. Bonds2

About trimethyl(prop-2-enyl)phosphanium

trimethyl(prop-2-enyl)phosphanium (PubChem CID 13271588) has the molecular formula C6H14P+ and a molecular weight of 117.15 g/mol. Its IUPAC name is trimethyl(prop-2-enyl)phosphanium.

Molecular Properties

Compound Nametrimethyl(prop-2-enyl)phosphanium
PubChem CID13271588
Molecular FormulaC6H14P+
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nametrimethyl(prop-2-enyl)phosphanium
SMILESC=CC[P+](C)(C)C
InChIInChI=1S/C6H14P/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3/q+1
InChIKeyCVIQBNKEBCPDGJ-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(prop-2-enyl)phosphanium?
The IUPAC name of trimethyl(prop-2-enyl)phosphanium (CID 13271588) is trimethyl(prop-2-enyl)phosphanium.
What is the SMILES notation for trimethyl(prop-2-enyl)phosphanium?
The canonical SMILES for trimethyl(prop-2-enyl)phosphanium is C=CC[P+](C)(C)C.
What is the InChIKey of trimethyl(prop-2-enyl)phosphanium?
The InChIKey is CVIQBNKEBCPDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14P/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3/q+1.
What are the key properties of trimethyl(prop-2-enyl)phosphanium?
trimethyl(prop-2-enyl)phosphanium has a molecular weight of 117.15 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enyl)phosphanium is sourced from PubChem (CID 13271588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).