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

C43H60Si — CID 173475018

IUPAC(3,5-dimethylcyclopenta-1,4-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(43-16-32(13)15-33(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/h15-32H,1-14H3
InChIKeyDNNGGSKVZILNAF-UHFFFAOYSA-N
MW605.04 g/mol
LogP10.96
Rot. Bonds10

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

(3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane (PubChem CID 173475018) has the molecular formula C43H60Si and a molecular weight of 605.04 g/mol. Its IUPAC name is (3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane.

Molecular Properties

Compound Name(3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane
PubChem CID173475018
Molecular FormulaC43H60Si
Molecular Weight605.04 g/mol
Exact Mass604.45
IUPAC Name(3,5-dimethylcyclopenta-1,4-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(43-16-32(13)15-33(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/h15-32H,1-14H3
InChIKeyDNNGGSKVZILNAF-UHFFFAOYSA-N
XLogP10.96
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 ≤ 510.96
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-ditert-butylphenyl)-(3,5-dimethylcyclopenta-1,4-dien-1-yl)silane
CID 173473768
(2,5-dimethylcyclopenta-2,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane
CID 140852666
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405
tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 140588892
tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140671833
tris[3,5-di(propan-2-yl)phenyl]-(2-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588420
tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588480
(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane;titanium(4+);trichloride
CID 173384332
(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane;titanium(4+);trichloride
CID 173383973
tris[3,5-di(propan-2-yl)phenyl]-(2-ethylcyclopenta-2,4-dien-1-yl)silane
CID 140852738
CID 174967963
CID 174967963

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane?
The IUPAC name of (3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane (CID 173475018) is (3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane.
What is the SMILES notation for (3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane?
The canonical SMILES for (3,5-dimethylcyclopenta-1,4-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 (3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane?
The InChIKey is DNNGGSKVZILNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H60Si/c1-26(2)34-17-35(27(3)4)21-40(20-34)44(43-16-32(13)15-33(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/h15-32H,1-14H3.
What are the key properties of (3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane?
(3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane has a molecular weight of 605.04 g/mol, XLogP of 10.96, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclopenta-1,4-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane is sourced from PubChem (CID 173475018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).