ethane;methane;tris(furan-2-yl)-methylphosphanium

C16H22O3P+ — CID 171527854

IUPACethane;methane;tris(furan-2-yl)-methylphosphanium
SMILESC.CC.C[P+](c1ccco1)(c1ccco1)c1ccco1
InChIInChI=1S/C13H12O3P.C2H6.CH4/c1-17(11-5-2-8-14-11,12-6-3-9-15-12)13-7-4-10-16-13;1-2;/h2-10H,1H3;1-2H3;1H4/q+1;;
InChIKeyKOXMCTLSOXKXSY-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.05
Rot. Bonds3

About ethane;methane;tris(furan-2-yl)-methylphosphanium

ethane;methane;tris(furan-2-yl)-methylphosphanium (PubChem CID 171527854) has the molecular formula C16H22O3P+ and a molecular weight of 293.32 g/mol. Its IUPAC name is ethane;methane;tris(furan-2-yl)-methylphosphanium.

Molecular Properties

Compound Nameethane;methane;tris(furan-2-yl)-methylphosphanium
PubChem CID171527854
Molecular FormulaC16H22O3P+
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nameethane;methane;tris(furan-2-yl)-methylphosphanium
SMILESC.CC.C[P+](c1ccco1)(c1ccco1)c1ccco1
InChIInChI=1S/C13H12O3P.C2H6.CH4/c1-17(11-5-2-8-14-11,12-6-3-9-15-12)13-7-4-10-16-13;1-2;/h2-10H,1H3;1-2H3;1H4/q+1;;
InChIKeyKOXMCTLSOXKXSY-UHFFFAOYSA-N
XLogP4.05
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(furan-2-yl)furan
CID 161366084
2-(3-methylbut-1-ynyl)furan
CID 59202131
2-[1-(furan-2-ylsulfanyl)ethylsulfanyl]furan
CID 101326157
2-(furan-2-yl)propanethial
CID 54309432
furan-2-ylmethanol;2-propan-2-ylsulfanylpropane
CID 174913675
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
1-(furan-2-yl)-2-methylbutane-1,3-diol
CID 72990739
furan-2-yl-tri(propan-2-yloxy)silane
CID 67271722
4-bromo-1-benzofuran;ethane
CID 166455445
methane;propan-2-yl furan-2-carboxylate
CID 157166715
ethane;2-propan-2-ylfuran;3-propan-2-ylfuran
CID 157401311

Frequently Asked Questions

What is the IUPAC name of ethane;methane;tris(furan-2-yl)-methylphosphanium?
The IUPAC name of ethane;methane;tris(furan-2-yl)-methylphosphanium (CID 171527854) is ethane;methane;tris(furan-2-yl)-methylphosphanium.
What is the SMILES notation for ethane;methane;tris(furan-2-yl)-methylphosphanium?
The canonical SMILES for ethane;methane;tris(furan-2-yl)-methylphosphanium is C.CC.C[P+](c1ccco1)(c1ccco1)c1ccco1.
What is the InChIKey of ethane;methane;tris(furan-2-yl)-methylphosphanium?
The InChIKey is KOXMCTLSOXKXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3P.C2H6.CH4/c1-17(11-5-2-8-14-11,12-6-3-9-15-12)13-7-4-10-16-13;1-2;/h2-10H,1H3;1-2H3;1H4/q+1;;.
What are the key properties of ethane;methane;tris(furan-2-yl)-methylphosphanium?
ethane;methane;tris(furan-2-yl)-methylphosphanium has a molecular weight of 293.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;tris(furan-2-yl)-methylphosphanium is sourced from PubChem (CID 171527854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).