[5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane

C27H38Si — CID 152751043

IUPAC[5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane
SMILESCCC(C)C1(C2(C)C(C)=C(C)C(C)=C2[SiH2]c2cc(C)cc(C)c2)C=CC=CC1
InChIInChI=1S/C27H38Si/c1-9-20(4)27(13-11-10-12-14-27)26(8)23(7)21(5)22(6)25(26)28-24-16-18(2)15-19(3)17-24/h10-13,15-17,20H,9,14,28H2,1-8H3
InChIKeyGJGRTRKRIKCJFE-UHFFFAOYSA-N
MW390.69 g/mol
LogP6.28
Rot. Bonds5

About [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane

[5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane (PubChem CID 152751043) has the molecular formula C27H38Si and a molecular weight of 390.69 g/mol. Its IUPAC name is [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane.

Molecular Properties

Compound Name[5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane
PubChem CID152751043
Molecular FormulaC27H38Si
Molecular Weight390.69 g/mol
Exact Mass390.27
IUPAC Name[5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane
SMILESCCC(C)C1(C2(C)C(C)=C(C)C(C)=C2[SiH2]c2cc(C)cc(C)c2)C=CC=CC1
InChIInChI=1S/C27H38Si/c1-9-20(4)27(13-11-10-12-14-27)26(8)23(7)21(5)22(6)25(26)28-24-16-18(2)15-19(3)17-24/h10-13,15-17,20H,9,14,28H2,1-8H3
InChIKeyGJGRTRKRIKCJFE-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.69
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane with MolForge

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Related Compounds

(2-methylphenyl)-[2,3,4,5-tetramethyl-5-(1-methylcyclohexa-2,4-dien-1-yl)cyclopenta-1,3-dien-1-yl]silane
CID 152749656
(3,5-dimethylphenyl)-[2,3,4-trimethyl-1-[(1-octadecylcyclohexa-2,4-dien-1-yl)methyl]cyclopenta-2,4-dien-1-yl]silane
CID 173472985
2-methylbutane;1,3,5-trimethylbenzene
CID 162176469
butan-2-yloxy-(3,5-dimethylphenyl)silane
CID 173101684
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
(3,5-dimethylphenyl)-(1-octadecylcyclohexa-2,4-dien-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 161188362
2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene
CID 175474100
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928
[1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol
CID 172555848
1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene
CID 151613800
(1S,2S)-1-amino-1-(1-chlorocyclohexa-2,4-dien-1-yl)butan-2-ol
CID 160883545
1-butan-2-yl-2-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]benzene
CID 154414077

Frequently Asked Questions

What is the IUPAC name of [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane?
The IUPAC name of [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane (CID 152751043) is [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane.
What is the SMILES notation for [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane?
The canonical SMILES for [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane is CCC(C)C1(C2(C)C(C)=C(C)C(C)=C2[SiH2]c2cc(C)cc(C)c2)C=CC=CC1.
What is the InChIKey of [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane?
The InChIKey is GJGRTRKRIKCJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38Si/c1-9-20(4)27(13-11-10-12-14-27)26(8)23(7)21(5)22(6)25(26)28-24-16-18(2)15-19(3)17-24/h10-13,15-17,20H,9,14,28H2,1-8H3.
What are the key properties of [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane?
[5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane has a molecular weight of 390.69 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-butan-2-ylcyclohexa-2,4-dien-1-yl)-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl]-(3,5-dimethylphenyl)silane is sourced from PubChem (CID 152751043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).