bis(furan-2-yl)methyl-tert-butylphosphanium iodide

C13H18IO2P — CID 71365037

IUPACbis(furan-2-yl)methyl-tert-butylphosphanium iodide
SMILESCC(C)(C)[PH2+]C(c1ccco1)c1ccco1.[I-]
InChIInChI=1S/C13H17O2P.HI/c1-13(2,3)16-12(10-6-4-8-14-10)11-7-5-9-15-11;/h4-9,12,16H,1-3H3;1H
InChIKeyGDLGTKYTCZLKKS-UHFFFAOYSA-N
MW364.16 g/mol
LogP1.18
Rot. Bonds3

About bis(furan-2-yl)methyl-tert-butylphosphanium iodide

bis(furan-2-yl)methyl-tert-butylphosphanium iodide (PubChem CID 71365037) has the molecular formula C13H18IO2P and a molecular weight of 364.16 g/mol. Its IUPAC name is bis(furan-2-yl)methyl-tert-butylphosphanium iodide.

Molecular Properties

Compound Namebis(furan-2-yl)methyl-tert-butylphosphanium iodide
PubChem CID71365037
Molecular FormulaC13H18IO2P
Molecular Weight364.16 g/mol
Exact Mass364.01
IUPAC Namebis(furan-2-yl)methyl-tert-butylphosphanium iodide
SMILESCC(C)(C)[PH2+]C(c1ccco1)c1ccco1.[I-]
InChIInChI=1S/C13H17O2P.HI/c1-13(2,3)16-12(10-6-4-8-14-10)11-7-5-9-15-11;/h4-9,12,16H,1-3H3;1H
InChIKeyGDLGTKYTCZLKKS-UHFFFAOYSA-N
XLogP1.18
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)-3,3-dimethylbutanoic acid
CID 83817123
1-(furan-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 130589665
N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115719150
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034
3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol
CID 130059387
1-(furan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053383
(3S)-3-amino-3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 55292739
tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate
CID 130003969
1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol
CID 103027526
[1-(furan-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105213697
1-(furan-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 79045813
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139

Frequently Asked Questions

What is the IUPAC name of bis(furan-2-yl)methyl-tert-butylphosphanium iodide?
The IUPAC name of bis(furan-2-yl)methyl-tert-butylphosphanium iodide (CID 71365037) is bis(furan-2-yl)methyl-tert-butylphosphanium iodide.
What is the SMILES notation for bis(furan-2-yl)methyl-tert-butylphosphanium iodide?
The canonical SMILES for bis(furan-2-yl)methyl-tert-butylphosphanium iodide is CC(C)(C)[PH2+]C(c1ccco1)c1ccco1.[I-].
What is the InChIKey of bis(furan-2-yl)methyl-tert-butylphosphanium iodide?
The InChIKey is GDLGTKYTCZLKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O2P.HI/c1-13(2,3)16-12(10-6-4-8-14-10)11-7-5-9-15-11;/h4-9,12,16H,1-3H3;1H.
What are the key properties of bis(furan-2-yl)methyl-tert-butylphosphanium iodide?
bis(furan-2-yl)methyl-tert-butylphosphanium iodide has a molecular weight of 364.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(furan-2-yl)methyl-tert-butylphosphanium iodide is sourced from PubChem (CID 71365037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).