butan-2-yl(trimethyl)phosphanium

C7H18P+ — CID 12980532

IUPACbutan-2-yl(trimethyl)phosphanium
SMILESCCC(C)[P+](C)(C)C
InChIInChI=1S/C7H18P/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3/q+1
InChIKeyQJYAPCBZVOODSE-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.69
Rot. Bonds2

About butan-2-yl(trimethyl)phosphanium

butan-2-yl(trimethyl)phosphanium (PubChem CID 12980532) has the molecular formula C7H18P+ and a molecular weight of 133.19 g/mol. Its IUPAC name is butan-2-yl(trimethyl)phosphanium.

Molecular Properties

Compound Namebutan-2-yl(trimethyl)phosphanium
PubChem CID12980532
Molecular FormulaC7H18P+
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Namebutan-2-yl(trimethyl)phosphanium
SMILESCCC(C)[P+](C)(C)C
InChIInChI=1S/C7H18P/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3/q+1
InChIKeyQJYAPCBZVOODSE-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.69
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 butan-2-yl(trimethyl)phosphanium?
The IUPAC name of butan-2-yl(trimethyl)phosphanium (CID 12980532) is butan-2-yl(trimethyl)phosphanium.
What is the SMILES notation for butan-2-yl(trimethyl)phosphanium?
The canonical SMILES for butan-2-yl(trimethyl)phosphanium is CCC(C)[P+](C)(C)C.
What is the InChIKey of butan-2-yl(trimethyl)phosphanium?
The InChIKey is QJYAPCBZVOODSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18P/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3/q+1.
What are the key properties of butan-2-yl(trimethyl)phosphanium?
butan-2-yl(trimethyl)phosphanium has a molecular weight of 133.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(trimethyl)phosphanium is sourced from PubChem (CID 12980532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).