[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane

C29H49PSi — CID 16685428

IUPAC[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC1=C(C)C([Si](C)(C)Pc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)C(C)=C1C
InChIInChI=1S/C29H49PSi/c1-18-19(2)21(4)26(20(18)3)31(14,15)30-25-23(28(8,9)10)16-22(27(5,6)7)17-24(25)29(11,12)13/h16-17,26,30H,1-15H3
InChIKeyARVHTMZROSFFOK-UHFFFAOYSA-N
MW456.77 g/mol
LogP9.14
Rot. Bonds3

About [dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane

[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 16685428) has the molecular formula C29H49PSi and a molecular weight of 456.77 g/mol. Its IUPAC name is [dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Name[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID16685428
Molecular FormulaC29H49PSi
Molecular Weight456.77 g/mol
Exact Mass456.33
IUPAC Name[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC1=C(C)C([Si](C)(C)Pc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)C(C)=C1C
InChIInChI=1S/C29H49PSi/c1-18-19(2)21(4)26(20(18)3)31(14,15)30-25-23(28(8,9)10)16-22(27(5,6)7)17-24(25)29(11,12)13/h16-17,26,30H,1-15H3
InChIKeyARVHTMZROSFFOK-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.77
LogP ≤ 59.14
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'}

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Related Compounds

(2,4,6-tritert-butylphenyl)phosphinite
CID 101376141
1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene
CID 102260894
2,4-ditert-butyl-6-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenol;titanium(2+);dichloride
CID 158755314
propyl-(2,4,6-tritert-butylphenyl)phosphane
CID 16697508
(2,4,6-tritert-butylphenyl)-[1-(2,4,6-tritert-butylphenyl)phosphanylethylidene]phosphane
CID 16689735
1,2,3,5-tetratert-butylbenzene
CID 18679123
carbanide;2,4-ditert-butyl-6-[(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]phenol;titanium(3+)
CID 171770986
CID 15962849
CID 15962849
2-tert-butyl-4-methyl-6-[methyl-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenol
CID 102299898
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
sodium 2,4-ditert-butylphenolate
CID 23662446
CID 135046337
CID 135046337

Frequently Asked Questions

What is the IUPAC name of [dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of [dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane (CID 16685428) is [dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for [dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for [dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane is CC1=C(C)C([Si](C)(C)Pc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)C(C)=C1C.
What is the InChIKey of [dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is ARVHTMZROSFFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H49PSi/c1-18-19(2)21(4)26(20(18)3)31(14,15)30-25-23(28(8,9)10)16-22(27(5,6)7)17-24(25)29(11,12)13/h16-17,26,30H,1-15H3.
What are the key properties of [dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane?
[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 456.77 g/mol, XLogP of 9.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 16685428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).