tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium

C22H38O2P+ — CID 71377578

IUPACtributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)Cc1ccc(C2OCCO2)cc1
InChIInChI=1S/C22H38O2P/c1-4-7-16-25(17-8-5-2,18-9-6-3)19-20-10-12-21(13-11-20)22-23-14-15-24-22/h10-13,22H,4-9,14-19H2,1-3H3/q+1
InChIKeyFUMOWTSLKNHMCM-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.65
Rot. Bonds12

About tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium

tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium (PubChem CID 71377578) has the molecular formula C22H38O2P+ and a molecular weight of 365.52 g/mol. Its IUPAC name is tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium.

Molecular Properties

Compound Nametributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium
PubChem CID71377578
Molecular FormulaC22H38O2P+
Molecular Weight365.52 g/mol
Exact Mass365.26
IUPAC Nametributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium
SMILESCCCC[P+](CCCC)(CCCC)Cc1ccc(C2OCCO2)cc1
InChIInChI=1S/C22H38O2P/c1-4-7-16-25(17-8-5-2,18-9-6-3)19-20-10-12-21(13-11-20)22-23-14-15-24-22/h10-13,22H,4-9,14-19H2,1-3H3/q+1
InChIKeyFUMOWTSLKNHMCM-UHFFFAOYSA-N
XLogP6.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium?
The IUPAC name of tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium (CID 71377578) is tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium.
What is the SMILES notation for tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium?
The canonical SMILES for tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium is CCCC[P+](CCCC)(CCCC)Cc1ccc(C2OCCO2)cc1.
What is the InChIKey of tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium?
The InChIKey is FUMOWTSLKNHMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2P/c1-4-7-16-25(17-8-5-2,18-9-6-3)19-20-10-12-21(13-11-20)22-23-14-15-24-22/h10-13,22H,4-9,14-19H2,1-3H3/q+1.
What are the key properties of tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium?
tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium has a molecular weight of 365.52 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium is sourced from PubChem (CID 71377578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).