(2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane

C15H32Si — CID 91446102

IUPAC(2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane
SMILESCC(C(=C[Si](C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32Si/c1-12(14(2,3)4)13(15(5,6)7)11-16(8,9)10/h11-12H,1-10H3
InChIKeyXEPCULUSPABRBA-UHFFFAOYSA-N
MW240.51 g/mol
LogP5.52
Rot. Bonds2

About (2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane

(2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane (PubChem CID 91446102) has the molecular formula C15H32Si and a molecular weight of 240.51 g/mol. Its IUPAC name is (2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane.

Molecular Properties

Compound Name(2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane
PubChem CID91446102
Molecular FormulaC15H32Si
Molecular Weight240.51 g/mol
Exact Mass240.23
IUPAC Name(2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane
SMILESCC(C(=C[Si](C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H32Si/c1-12(14(2,3)4)13(15(5,6)7)11-16(8,9)10/h11-12H,1-10H3
InChIKeyXEPCULUSPABRBA-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.51
LogP ≤ 55.52
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 (2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane?
The IUPAC name of (2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane (CID 91446102) is (2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane.
What is the SMILES notation for (2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane?
The canonical SMILES for (2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane is CC(C(=C[Si](C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane?
The InChIKey is XEPCULUSPABRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32Si/c1-12(14(2,3)4)13(15(5,6)7)11-16(8,9)10/h11-12H,1-10H3.
What are the key properties of (2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane?
(2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane has a molecular weight of 240.51 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3,4,4-trimethylpent-1-enyl)-trimethylsilane is sourced from PubChem (CID 91446102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).