(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane

C22H39PSi — CID 12776595

IUPAC(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C/[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C22H39PSi/c1-20(2,3)16-13-17(21(4,5)6)19(23-15-24(10,11)12)18(14-16)22(7,8)9/h13-15H,1-12H3
InChIKeyOYHAQPLZRWJFTL-UHFFFAOYSA-N
MW362.61 g/mol
LogP6.83
Rot. Bonds2

About (2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane

(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane (PubChem CID 12776595) has the molecular formula C22H39PSi and a molecular weight of 362.61 g/mol. Its IUPAC name is (2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane.

Molecular Properties

Compound Name(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
PubChem CID12776595
Molecular FormulaC22H39PSi
Molecular Weight362.61 g/mol
Exact Mass362.26
IUPAC Name(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=C/[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C22H39PSi/c1-20(2,3)16-13-17(21(4,5)6)19(23-15-24(10,11)12)18(14-16)22(7,8)9/h13-15H,1-12H3
InChIKeyOYHAQPLZRWJFTL-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.61
LogP ≤ 56.83
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

bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
(2,4,6-tritert-butylphenyl)-[4-(2,4,6-tritert-butylphenyl)phosphanylidenebutylidene]phosphane
CID 101184918
(2,4,6-tritert-butylphenyl)-[[4-[(2,4,6-tritert-butylphenyl)phosphanylidenemethyl]phenyl]methylidene]phosphane
CID 15803042
(4-chlorophenyl)methylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 101336362
benzene;carbon monoxide;(2,4,6-tritert-butylphenyl)phosphanylideneosmium
CID 134984450
1,2,3,5-tetratert-butylbenzene
CID 18679123
2,4,6-tritert-butyl-N-(2,4,6-tritert-butylphenyl)-N-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanylaniline
CID 134886122
phenyl-(2,4,6-tritert-butylphenyl)phosphanylidenephosphane
CID 13086218
[2,3-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 11389161
(2,4,6-tritert-butylphenyl)phosphinite
CID 101376141
(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
CID 15821264
[(2S,3R)-2-tert-butyl-3-[(1S,2S)-2-tert-butyl-3,4-bis[(2,4,6-tritert-butylphenyl)phosphanylidene]cyclobutyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobutylidene]-(2,4,6-tritert-butylphenyl)phosphane
CID 100918214

Frequently Asked Questions

What is the IUPAC name of (2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane?
The IUPAC name of (2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane (CID 12776595) is (2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane.
What is the SMILES notation for (2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane?
The canonical SMILES for (2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane is CC(C)(C)c1cc(C(C)(C)C)c(/P=C/[Si](C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of (2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane?
The InChIKey is OYHAQPLZRWJFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39PSi/c1-20(2,3)16-13-17(21(4,5)6)19(23-15-24(10,11)12)18(14-16)22(7,8)9/h13-15H,1-12H3.
What are the key properties of (2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane?
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane has a molecular weight of 362.61 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane is sourced from PubChem (CID 12776595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).