(2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane

C43H60Si — CID 140852666

IUPAC(2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane
SMILESCC1=CC=C(C)C1[Si](c1cc(C(C)C)cc(C(C)C)c1)(c1cc(C(C)C)cc(C(C)C)c1)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C43H60Si/c1-26(2)34-17-35(27(3)4)21-40(20-34)44(43-32(13)15-16-33(43)14,41-22-36(28(5)6)18-37(23-41)29(7)8)42-24-38(30(9)10)19-39(25-42)31(11)12/h15-31,43H,1-14H3
InChIKeyVAAQHDWKOPLFLD-UHFFFAOYSA-N
MW605.04 g/mol
LogP11.17
Rot. Bonds10

About (2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane

(2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane (PubChem CID 140852666) has the molecular formula C43H60Si and a molecular weight of 605.04 g/mol. Its IUPAC name is (2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane.

Molecular Properties

Compound Name(2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane
PubChem CID140852666
Molecular FormulaC43H60Si
Molecular Weight605.04 g/mol
Exact Mass604.45
IUPAC Name(2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane
SMILESCC1=CC=C(C)C1[Si](c1cc(C(C)C)cc(C(C)C)c1)(c1cc(C(C)C)cc(C(C)C)c1)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C43H60Si/c1-26(2)34-17-35(27(3)4)21-40(20-34)44(43-32(13)15-16-33(43)14,41-22-36(28(5)6)18-37(23-41)29(7)8)42-24-38(30(9)10)19-39(25-42)31(11)12/h15-31,43H,1-14H3
InChIKeyVAAQHDWKOPLFLD-UHFFFAOYSA-N
XLogP11.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.04
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tris[3,5-di(propan-2-yl)phenyl]-(2-ethylcyclopenta-2,4-dien-1-yl)silane
CID 140852738
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
(3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane
CID 173475018
sodium 3-methyl-5-propan-2-ylphenolate
CID 23680655
(2-methyl-1,3-dihydroinden-3-id-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 159911198
1-ethylsulfanyl-3,5-di(propan-2-yl)benzene
CID 162469287
1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448
1,3-dimethyl-2,5-di(propan-2-yl)benzene
CID 59820900
tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588480
tris[3,5-di(propan-2-yl)phenyl]-(2-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588420
[(1R)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-[(1S)-4-bromo-2-methyl-6-propan-2-yl-1H-inden-1-yl]-dimethylsilane
CID 90809327

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane?
The IUPAC name of (2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane (CID 140852666) is (2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane.
What is the SMILES notation for (2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane?
The canonical SMILES for (2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane is CC1=CC=C(C)C1[Si](c1cc(C(C)C)cc(C(C)C)c1)(c1cc(C(C)C)cc(C(C)C)c1)c1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of (2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane?
The InChIKey is VAAQHDWKOPLFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H60Si/c1-26(2)34-17-35(27(3)4)21-40(20-34)44(43-32(13)15-16-33(43)14,41-22-36(28(5)6)18-37(23-41)29(7)8)42-24-38(30(9)10)19-39(25-42)31(11)12/h15-31,43H,1-14H3.
What are the key properties of (2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane?
(2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane has a molecular weight of 605.04 g/mol, XLogP of 11.17, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane is sourced from PubChem (CID 140852666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).