butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane

C27H47PSi — CID 15773778

IUPACbutyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
SMILESCCCCP(C#C[Si](C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C27H47PSi/c1-14-15-16-28(17-18-29(11,12)13)24-22(26(5,6)7)19-21(25(2,3)4)20-23(24)27(8,9)10/h19-20H,14-16H2,1-13H3
InChIKeyBFEMCCZKXLXJBV-UHFFFAOYSA-N
MW430.73 g/mol
LogP8.32
Rot. Bonds4

About butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane

butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane (PubChem CID 15773778) has the molecular formula C27H47PSi and a molecular weight of 430.73 g/mol. Its IUPAC name is butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane.

Molecular Properties

Compound Namebutyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
PubChem CID15773778
Molecular FormulaC27H47PSi
Molecular Weight430.73 g/mol
Exact Mass430.32
IUPAC Namebutyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
SMILESCCCCP(C#C[Si](C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C27H47PSi/c1-14-15-16-28(17-18-29(11,12)13)24-22(26(5,6)7)19-21(25(2,3)4)20-23(24)27(8,9)10/h19-20H,14-16H2,1-13H3
InChIKeyBFEMCCZKXLXJBV-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.73
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
CID 15773777
(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[2-tri(propan-2-yl)silylethynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]-[2-tri(propan-2-yl)silylethynyl]phosphane
CID 101076527
N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine
CID 134932690
2-butyl-4,6-ditert-butylaniline
CID 167227063
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
2,4-ditert-butyl-6-(3,5-ditert-butyl-2-oxidophenyl)azanidylphenolate;bis(2-methylpropan-2-olate);pentane;tantalum(5+)
CID 139136229
butyl-[(4-methoxyphenyl)-(2,4,6-tritert-butylphenyl)phosphanylidenemethoxy]-(2,4,6-tritert-butylphenyl)phosphane
CID 102531963
2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene
CID 134932795
2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane
CID 102078481
3,5-ditert-butyl-2-hexadecylbenzoic acid
CID 151121985
2,4-ditert-butyl-6-(diethylamino)phenol
CID 90717515
propyl-(2,4,6-tritert-butylphenyl)phosphane
CID 16697508

Frequently Asked Questions

What is the IUPAC name of butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane?
The IUPAC name of butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane (CID 15773778) is butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane.
What is the SMILES notation for butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane?
The canonical SMILES for butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane is CCCCP(C#C[Si](C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane?
The InChIKey is BFEMCCZKXLXJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47PSi/c1-14-15-16-28(17-18-29(11,12)13)24-22(26(5,6)7)19-21(25(2,3)4)20-23(24)27(8,9)10/h19-20H,14-16H2,1-13H3.
What are the key properties of butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane?
butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane has a molecular weight of 430.73 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane is sourced from PubChem (CID 15773778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).