ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium

C30H60OP+ — CID 169243392

IUPACethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium
SMILESCC.CCCC[P+](CCCC)(CCCC)Cc1ccc(C(C(C)C)C(C)(C)C)cc1.CO
InChIInChI=1S/C27H50P.C2H6.CH4O/c1-9-12-19-28(20-13-10-2,21-14-11-3)22-24-15-17-25(18-16-24)26(23(4)5)27(6,7)8;2*1-2/h15-18,23,26H,9-14,19-22H2,1-8H3;1-2H3;2H,1H3/q+1;;
InChIKeyHZFGKOFANQGVAS-UHFFFAOYSA-N
MW467.78 g/mol
LogP10.02
Rot. Bonds13

About ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium

ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium (PubChem CID 169243392) has the molecular formula C30H60OP+ and a molecular weight of 467.78 g/mol. Its IUPAC name is ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium.

Molecular Properties

Compound Nameethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium
PubChem CID169243392
Molecular FormulaC30H60OP+
Molecular Weight467.78 g/mol
Exact Mass467.44
IUPAC Nameethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium
SMILESCC.CCCC[P+](CCCC)(CCCC)Cc1ccc(C(C(C)C)C(C)(C)C)cc1.CO
InChIInChI=1S/C27H50P.C2H6.CH4O/c1-9-12-19-28(20-13-10-2,21-14-11-3)22-24-15-17-25(18-16-24)26(23(4)5)27(6,7)8;2*1-2/h15-18,23,26H,9-14,19-22H2,1-8H3;1-2H3;2H,1H3/q+1;;
InChIKeyHZFGKOFANQGVAS-UHFFFAOYSA-N
XLogP10.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.78
LogP ≤ 510.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]phosphanium bromide
CID 67008108
2,2,4-trimethyloctan-3-ylbenzene
CID 151316851
tributyl-[(4-ethenylphenyl)methyl]phosphanium bromide
CID 22119369
tributyl-[(4-trimethoxysilylphenyl)methyl]phosphanium
CID 102183330
tributyl-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]phosphanium
CID 71377578
tributyl-[(3,4-dimethoxyphenyl)methyl]phosphanium chloride
CID 71414193
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
dibenzyl(didecyl)phosphanium
CID 69307785
dibenzyl(dipentyl)phosphanium chloride
CID 69306220
4-(2-methylheptan-3-yl)phenol
CID 174396505
dibenzyl(didodecyl)phosphanium bromide
CID 69306465
tribenzyl(decyl)phosphanium iodide
CID 69307604

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium?
The IUPAC name of ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium (CID 169243392) is ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium.
What is the SMILES notation for ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium?
The canonical SMILES for ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium is CC.CCCC[P+](CCCC)(CCCC)Cc1ccc(C(C(C)C)C(C)(C)C)cc1.CO.
What is the InChIKey of ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium?
The InChIKey is HZFGKOFANQGVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50P.C2H6.CH4O/c1-9-12-19-28(20-13-10-2,21-14-11-3)22-24-15-17-25(18-16-24)26(23(4)5)27(6,7)8;2*1-2/h15-18,23,26H,9-14,19-22H2,1-8H3;1-2H3;2H,1H3/q+1;;.
What are the key properties of ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium?
ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium has a molecular weight of 467.78 g/mol, XLogP of 10.02, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;tributyl-[[4-(2,2,4-trimethylpentan-3-yl)phenyl]methyl]phosphanium is sourced from PubChem (CID 169243392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).