ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride

C17H33ClNP — CID 157199649

IUPACditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride
SMILESCC(C)P(C(C)(C)C)C(C)(C)C.C[n+]1ccccc1.[Cl-]
InChIInChI=1S/C11H25P.C6H8N.ClH/c1-9(2)12(10(3,4)5)11(6,7)8;1-7-5-3-2-4-6-7;/h9H,1-8H3;2-6H,1H3;1H/q;+1;/p-1
InChIKeyGSGFAGXRWADOGU-UHFFFAOYSA-M
MW317.88 g/mol
LogP1.99
Rot. Bonds1

About ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride

ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride (PubChem CID 157199649) has the molecular formula C17H33ClNP and a molecular weight of 317.88 g/mol. Its IUPAC name is ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride.

Molecular Properties

Compound Nameditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride
PubChem CID157199649
Molecular FormulaC17H33ClNP
Molecular Weight317.88 g/mol
Exact Mass317.20
IUPAC Nameditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride
SMILESCC(C)P(C(C)(C)C)C(C)(C)C.C[n+]1ccccc1.[Cl-]
InChIInChI=1S/C11H25P.C6H8N.ClH/c1-9(2)12(10(3,4)5)11(6,7)8;1-7-5-3-2-4-6-7;/h9H,1-8H3;2-6H,1H3;1H/q;+1;/p-1
InChIKeyGSGFAGXRWADOGU-UHFFFAOYSA-M
XLogP1.99
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 161367015
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CID 160797453
1-ethylpyridin-1-ium;1-methylpyridin-1-ium
CID 160508395
1-methylpyridin-1-ium;tetraiodoplumbane;iodide
CID 174902688
tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)
CID 23103331
1-methylpyridin-1-ium;sulfuric acid
CID 67146058
methane;1-methylpyridin-1-ium;2-methylpyrimidine
CID 162117195
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium)
CID 173063507
ethane;bis(1-methylpyridin-1-ium);acetate
CID 159228977
1-(3-methylpentan-3-yl)pyridin-1-ium
CID 176778062
tris(1-ethylpyridin-1-ium);trichloride
CID 175102745

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride?
The IUPAC name of ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride (CID 157199649) is ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride.
What is the SMILES notation for ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride?
The canonical SMILES for ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride is CC(C)P(C(C)(C)C)C(C)(C)C.C[n+]1ccccc1.[Cl-].
What is the InChIKey of ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride?
The InChIKey is GSGFAGXRWADOGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H25P.C6H8N.ClH/c1-9(2)12(10(3,4)5)11(6,7)8;1-7-5-3-2-4-6-7;/h9H,1-8H3;2-6H,1H3;1H/q;+1;/p-1.
What are the key properties of ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride?
ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride has a molecular weight of 317.88 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(propan-2-yl)phosphane;1-methylpyridin-1-ium;chloride is sourced from PubChem (CID 157199649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).