[5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C35H46Si — CID 178126216

IUPAC[5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=Cc2c(cc(-c3ccc(C(C)(C)C)cc3)c3c2CCCC3)C1[Si](C)(C)C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C35H46Si/c1-21-19-31-29-14-12-11-13-28(29)30(26-15-17-27(18-16-26)35(6,7)8)20-32(31)33(21)36(9,10)34-24(4)22(2)23(3)25(34)5/h15-20,33-34H,11-14H2,1-10H3
InChIKeyFYDVIDBUJXLPQN-UHFFFAOYSA-N
MW494.84 g/mol
LogP10.33
Rot. Bonds3

About [5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

[5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 178126216) has the molecular formula C35H46Si and a molecular weight of 494.84 g/mol. Its IUPAC name is [5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name[5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID178126216
Molecular FormulaC35H46Si
Molecular Weight494.84 g/mol
Exact Mass494.34
IUPAC Name[5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=Cc2c(cc(-c3ccc(C(C)(C)C)cc3)c3c2CCCC3)C1[Si](C)(C)C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C35H46Si/c1-21-19-31-29-14-12-11-13-28(29)30(26-15-17-27(18-16-26)35(6,7)8)20-32(31)33(21)36(9,10)34-24(4)22(2)23(3)25(34)5/h15-20,33-34H,11-14H2,1-10H3
InChIKeyFYDVIDBUJXLPQN-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.84
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of [5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 178126216) is [5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for [5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for [5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=Cc2c(cc(-c3ccc(C(C)(C)C)cc3)c3c2CCCC3)C1[Si](C)(C)C1C(C)=C(C)C(C)=C1C.
What is the InChIKey of [5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is FYDVIDBUJXLPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46Si/c1-21-19-31-29-14-12-11-13-28(29)30(26-15-17-27(18-16-26)35(6,7)8)20-32(31)33(21)36(9,10)34-24(4)22(2)23(3)25(34)5/h15-20,33-34H,11-14H2,1-10H3.
What are the key properties of [5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
[5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 494.84 g/mol, XLogP of 10.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 178126216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).