tributyl(2-methoxypropyl)phosphanium

C16H36OP+ — CID 3025687

IUPACtributyl(2-methoxypropyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CC(C)OC
InChIInChI=1S/C16H36OP/c1-6-9-12-18(13-10-7-2,14-11-8-3)15-16(4)17-5/h16H,6-15H2,1-5H3/q+1
InChIKeyBTMIENSZKMNLRR-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.44
Rot. Bonds12

About tributyl(2-methoxypropyl)phosphanium

tributyl(2-methoxypropyl)phosphanium (PubChem CID 3025687) has the molecular formula C16H36OP+ and a molecular weight of 275.44 g/mol. Its IUPAC name is tributyl(2-methoxypropyl)phosphanium.

Molecular Properties

Compound Nametributyl(2-methoxypropyl)phosphanium
PubChem CID3025687
Molecular FormulaC16H36OP+
Molecular Weight275.44 g/mol
Exact Mass275.25
IUPAC Nametributyl(2-methoxypropyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)CC(C)OC
InChIInChI=1S/C16H36OP/c1-6-9-12-18(13-10-7-2,14-11-8-3)15-16(4)17-5/h16H,6-15H2,1-5H3/q+1
InChIKeyBTMIENSZKMNLRR-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl(2-methoxypropyl)phosphanium acetate
CID 87276680
ethane;2-methoxyhexane
CID 91199174
1-fluoro-1-methoxypentane
CID 138657313
tetrabutylphosphanium;tin(4+)
CID 160650774
1-butoxy-4-methoxypentane
CID 91807303
tributyl(2-ethylhexyl)phosphanium
CID 20519085
tributyl(2-methoxyethyl)phosphanium
CID 25047739
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
1-methoxypentane;2-methoxypentane
CID 158569369
(7R)-7-methoxy-2-methylundecane
CID 118890177

Frequently Asked Questions

What is the IUPAC name of tributyl(2-methoxypropyl)phosphanium?
The IUPAC name of tributyl(2-methoxypropyl)phosphanium (CID 3025687) is tributyl(2-methoxypropyl)phosphanium.
What is the SMILES notation for tributyl(2-methoxypropyl)phosphanium?
The canonical SMILES for tributyl(2-methoxypropyl)phosphanium is CCCC[P+](CCCC)(CCCC)CC(C)OC.
What is the InChIKey of tributyl(2-methoxypropyl)phosphanium?
The InChIKey is BTMIENSZKMNLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36OP/c1-6-9-12-18(13-10-7-2,14-11-8-3)15-16(4)17-5/h16H,6-15H2,1-5H3/q+1.
What are the key properties of tributyl(2-methoxypropyl)phosphanium?
tributyl(2-methoxypropyl)phosphanium has a molecular weight of 275.44 g/mol, XLogP of 5.44, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-methoxypropyl)phosphanium is sourced from PubChem (CID 3025687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).