trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane

C29H40Si — CID 153467819

IUPACtrimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane
SMILESCc1cc2c(cc1C(C)c1ccccc1)C=C(C[Si](C)(C)C)C21C(C)(C)CC1(C)C
InChIInChI=1S/C29H40Si/c1-20-15-26-23(17-25(20)21(2)22-13-11-10-12-14-22)16-24(18-30(7,8)9)29(26)27(3,4)19-28(29,5)6/h10-17,21H,18-19H2,1-9H3
InChIKeyBSNLNBJCGRPXEF-UHFFFAOYSA-N
MW416.73 g/mol
LogP8.58
Rot. Bonds4

About trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane

trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane (PubChem CID 153467819) has the molecular formula C29H40Si and a molecular weight of 416.73 g/mol. Its IUPAC name is trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane
PubChem CID153467819
Molecular FormulaC29H40Si
Molecular Weight416.73 g/mol
Exact Mass416.29
IUPAC Nametrimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane
SMILESCc1cc2c(cc1C(C)c1ccccc1)C=C(C[Si](C)(C)C)C21C(C)(C)CC1(C)C
InChIInChI=1S/C29H40Si/c1-20-15-26-23(17-25(20)21(2)22-13-11-10-12-14-22)16-24(18-30(7,8)9)29(26)27(3,4)19-28(29,5)6/h10-17,21H,18-19H2,1-9H3
InChIKeyBSNLNBJCGRPXEF-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.73
LogP ≤ 58.58
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 trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane?
The IUPAC name of trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane (CID 153467819) is trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane.
What is the SMILES notation for trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane?
The canonical SMILES for trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane is Cc1cc2c(cc1C(C)c1ccccc1)C=C(C[Si](C)(C)C)C21C(C)(C)CC1(C)C.
What is the InChIKey of trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane?
The InChIKey is BSNLNBJCGRPXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40Si/c1-20-15-26-23(17-25(20)21(2)22-13-11-10-12-14-22)16-24(18-30(7,8)9)29(26)27(3,4)19-28(29,5)6/h10-17,21H,18-19H2,1-9H3.
What are the key properties of trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane?
trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane has a molecular weight of 416.73 g/mol, XLogP of 8.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[1,1,3,3,6'-pentamethyl-5'-(1-phenylethyl)spiro[cyclobutane-2,1'-indene]-2'-yl]methyl]silane is sourced from PubChem (CID 153467819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).