methyl-tris(2-methylbutyl)phosphanium

C16H36P+ — CID 18415083

IUPACmethyl-tris(2-methylbutyl)phosphanium
SMILESCCC(C)C[P+](C)(CC(C)CC)CC(C)CC
InChIInChI=1S/C16H36P/c1-8-14(4)11-17(7,12-15(5)9-2)13-16(6)10-3/h14-16H,8-13H2,1-7H3/q+1
InChIKeyHYFVKSHKSGXOHC-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.77
Rot. Bonds9

About methyl-tris(2-methylbutyl)phosphanium

methyl-tris(2-methylbutyl)phosphanium (PubChem CID 18415083) has the molecular formula C16H36P+ and a molecular weight of 259.44 g/mol. Its IUPAC name is methyl-tris(2-methylbutyl)phosphanium.

Molecular Properties

Compound Namemethyl-tris(2-methylbutyl)phosphanium
PubChem CID18415083
Molecular FormulaC16H36P+
Molecular Weight259.44 g/mol
Exact Mass259.25
IUPAC Namemethyl-tris(2-methylbutyl)phosphanium
SMILESCCC(C)C[P+](C)(CC(C)CC)CC(C)CC
InChIInChI=1S/C16H36P/c1-8-14(4)11-17(7,12-15(5)9-2)13-16(6)10-3/h14-16H,8-13H2,1-7H3/q+1
InChIKeyHYFVKSHKSGXOHC-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethylheptane;ethane
CID 172617343
(5R)-2,3,5-trimethylheptane
CID 59882960
methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279
ethane;3-methylpentane
CID 91147782
methane;3-methylpentane
CID 153359275
3-methylpentane;propane
CID 123266773
(4S)-2,4-dimethylhexane
CID 22810193
2,3,5,6,8-pentamethyldecane
CID 123990465
5-ethyl-3,6,8-trimethyldecane
CID 173141656
3,4,5,6,8-pentamethyldecane
CID 123810037
(4R)-2,4-dimethylhexane;methane
CID 157133469

Frequently Asked Questions

What is the IUPAC name of methyl-tris(2-methylbutyl)phosphanium?
The IUPAC name of methyl-tris(2-methylbutyl)phosphanium (CID 18415083) is methyl-tris(2-methylbutyl)phosphanium.
What is the SMILES notation for methyl-tris(2-methylbutyl)phosphanium?
The canonical SMILES for methyl-tris(2-methylbutyl)phosphanium is CCC(C)C[P+](C)(CC(C)CC)CC(C)CC.
What is the InChIKey of methyl-tris(2-methylbutyl)phosphanium?
The InChIKey is HYFVKSHKSGXOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P/c1-8-14(4)11-17(7,12-15(5)9-2)13-16(6)10-3/h14-16H,8-13H2,1-7H3/q+1.
What are the key properties of methyl-tris(2-methylbutyl)phosphanium?
methyl-tris(2-methylbutyl)phosphanium has a molecular weight of 259.44 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(2-methylbutyl)phosphanium is sourced from PubChem (CID 18415083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).