[2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane

C56H96O2P2Si2 — CID 102215591

IUPAC[2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=c2\c(CCO[Si](C)(C)C(C)(C)C)c(CCO[Si](C)(C)C(C)(C)C)\c2=P/c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C56H96O2P2Si2/c1-49(2,3)37-33-41(51(7,8)9)47(42(34-37)52(10,11)12)59-45-39(29-31-57-61(25,26)55(19,20)21)40(30-32-58-62(27,28)56(22,23)24)46(45)60-48-43(53(13,14)15)35-38(50(4,5)6)36-44(48)54(16,17)18/h33-36H,29-32H2,1-28H3
InChIKeyJQBTYCUMNQIEEG-UHFFFAOYSA-N
MW919.50 g/mol
LogP17.08
Rot. Bonds10

About [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane

[2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 102215591) has the molecular formula C56H96O2P2Si2 and a molecular weight of 919.50 g/mol. Its IUPAC name is [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Name[2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID102215591
Molecular FormulaC56H96O2P2Si2
Molecular Weight919.50 g/mol
Exact Mass918.64
IUPAC Name[2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/P=c2\c(CCO[Si](C)(C)C(C)(C)C)c(CCO[Si](C)(C)C(C)(C)C)\c2=P/c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C56H96O2P2Si2/c1-49(2,3)37-33-41(51(7,8)9)47(42(34-37)52(10,11)12)59-45-39(29-31-57-61(25,26)55(19,20)21)40(30-32-58-62(27,28)56(22,23)24)46(45)60-48-43(53(13,14)15)35-38(50(4,5)6)36-44(48)54(16,17)18/h33-36H,29-32H2,1-28H3
InChIKeyJQBTYCUMNQIEEG-UHFFFAOYSA-N
XLogP17.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.50
LogP ≤ 517.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane with MolForge

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Related Compounds

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CID 11515183
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CID 18629051

Frequently Asked Questions

What is the IUPAC name of [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane (CID 102215591) is [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane is CC(C)(C)c1cc(C(C)(C)C)c(/P=c2\c(CCO[Si](C)(C)C(C)(C)C)c(CCO[Si](C)(C)C(C)(C)C)\c2=P/c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is JQBTYCUMNQIEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H96O2P2Si2/c1-49(2,3)37-33-41(51(7,8)9)47(42(34-37)52(10,11)12)59-45-39(29-31-57-61(25,26)55(19,20)21)40(30-32-58-62(27,28)56(22,23)24)46(45)60-48-43(53(13,14)15)35-38(50(4,5)6)36-44(48)54(16,17)18/h33-36H,29-32H2,1-28H3.
What are the key properties of [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane?
[2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 919.50 g/mol, XLogP of 17.08, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(2,4,6-tritert-butylphenyl)phosphanylidenecyclobut-2-en-1-ylidene]-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 102215591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).