2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one

C49H84OSi4 — CID 11136543

IUPAC2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one
SMILESCC(C)[Si](C#CC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C1=O)(C(C)C)C(C)C
InChIInChI=1S/C49H84OSi4/c1-33(2)51(34(3)4,35(5)6)29-25-45-46(26-30-52(36(7)8,37(9)10)38(11)12)48(28-32-54(42(19)20,43(21)22)44(23)24)49(50)47(45)27-31-53(39(13)14,40(15)16)41(17)18/h33-44H,1-24H3
InChIKeyYDZDRNYHTGRWME-UHFFFAOYSA-N
MW801.55 g/mol
LogP15.05
Rot. Bonds12

About 2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one

2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one (PubChem CID 11136543) has the molecular formula C49H84OSi4 and a molecular weight of 801.55 g/mol. Its IUPAC name is 2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one
PubChem CID11136543
Molecular FormulaC49H84OSi4
Molecular Weight801.55 g/mol
Exact Mass800.56
IUPAC Name2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one
SMILESCC(C)[Si](C#CC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C1=O)(C(C)C)C(C)C
InChIInChI=1S/C49H84OSi4/c1-33(2)51(34(3)4,35(5)6)29-25-45-46(26-30-52(36(7)8,37(9)10)38(11)12)48(28-32-54(42(19)20,43(21)22)44(23)24)49(50)47(45)27-31-53(39(13)14,40(15)16)41(17)18/h33-44H,1-24H3
InChIKeyYDZDRNYHTGRWME-UHFFFAOYSA-N
XLogP15.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.55
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2,5-bis(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]phenyl]-5-(2-trimethylsilylethynyl)-3,4-bis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one
CID 10820139
6,7-bis[2-tri(propan-2-yl)silylethynyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline-4,9-dione
CID 134939911
tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 11657473
6-amino-5-[2-tri(propan-2-yl)silylethynyl]-1H-pyrimidin-2-one
CID 156692419
2-[2,3-diethynyl-4,5,6-tris[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl-tri(propan-2-yl)silane
CID 10653117
tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane
CID 15196660
2,5-bis(4-bromophenyl)-3,4-bis[4-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopenta-2,4-dien-1-one
CID 134977261
4-[2,3,4,5,6-pentakis[4-tri(propan-2-yl)silylbuta-1,3-diynyl]phenyl]buta-1,3-diynyl-tri(propan-2-yl)silane
CID 15047163
4-[2-tri(propan-2-yl)silylethynyl]benzaldehyde
CID 10827100
trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 15312832
tri(propan-2-yl)-[2-[5-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]ethynyl]silane
CID 169050439
2-ethynyl-3,6-diimino-5-[2-tri(propan-2-yl)silylethynyl]cyclohexa-1,4-diene-1,4-diamine
CID 139186519

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one?
The IUPAC name of 2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one (CID 11136543) is 2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one?
The canonical SMILES for 2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one is CC(C)[Si](C#CC1=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C1=O)(C(C)C)C(C)C.
What is the InChIKey of 2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one?
The InChIKey is YDZDRNYHTGRWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H84OSi4/c1-33(2)51(34(3)4,35(5)6)29-25-45-46(26-30-52(36(7)8,37(9)10)38(11)12)48(28-32-54(42(19)20,43(21)22)44(23)24)49(50)47(45)27-31-53(39(13)14,40(15)16)41(17)18/h33-44H,1-24H3.
What are the key properties of 2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one?
2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one has a molecular weight of 801.55 g/mol, XLogP of 15.05, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrakis[2-tri(propan-2-yl)silylethynyl]cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 11136543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).