(3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane

C30H34Si — CID 140852648

IUPAC(3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane
SMILESCCC(C)C1=CC([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)C=C1
InChIInChI=1S/C30H34Si/c1-6-25(5)26-16-17-30(21-26)31(27-13-7-10-22(2)18-27,28-14-8-11-23(3)19-28)29-15-9-12-24(4)20-29/h7-21,25,30H,6H2,1-5H3
InChIKeyROFDZMRCHFUYCP-UHFFFAOYSA-N
MW422.69 g/mol
LogP5.99
Rot. Bonds6

About (3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane

(3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane (PubChem CID 140852648) has the molecular formula C30H34Si and a molecular weight of 422.69 g/mol. Its IUPAC name is (3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane.

Molecular Properties

Compound Name(3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane
PubChem CID140852648
Molecular FormulaC30H34Si
Molecular Weight422.69 g/mol
Exact Mass422.24
IUPAC Name(3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane
SMILESCCC(C)C1=CC([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)C=C1
InChIInChI=1S/C30H34Si/c1-6-25(5)26-16-17-30(21-26)31(27-13-7-10-22(2)18-27,28-14-8-11-23(3)19-28)29-15-9-12-24(4)20-29/h7-21,25,30H,6H2,1-5H3
InChIKeyROFDZMRCHFUYCP-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.69
LogP ≤ 55.99
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

(3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane
CID 140852310
ethyl-methyl-bis(3-methylphenyl)silane
CID 58460541
dichloro-ethyl-(3-methylphenyl)silane
CID 15514735
(3-methylphenyl)-tripropylsilane
CID 101204991
bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748439
3-butan-2-yl-1-methyl-4-(3-methylphenyl)pyrazol-5-amine
CID 62830810
1-[(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
CID 141345898
chloro-(chloromethyl)-bis(3-methylphenyl)silane
CID 139686300
ethane;propane;1,3-xylene
CID 144528046
N-[2-(3-methylphenyl)sulfanylethyl]pentan-3-amine
CID 62580669
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
ethyl-tris(3-methylphenyl)phosphanium
CID 18958193

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane?
The IUPAC name of (3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane (CID 140852648) is (3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane.
What is the SMILES notation for (3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane?
The canonical SMILES for (3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane is CCC(C)C1=CC([Si](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)C=C1.
What is the InChIKey of (3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane?
The InChIKey is ROFDZMRCHFUYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Si/c1-6-25(5)26-16-17-30(21-26)31(27-13-7-10-22(2)18-27,28-14-8-11-23(3)19-28)29-15-9-12-24(4)20-29/h7-21,25,30H,6H2,1-5H3.
What are the key properties of (3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane?
(3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane has a molecular weight of 422.69 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane is sourced from PubChem (CID 140852648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).