(4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane

C18H36Si2 — CID 46918893

IUPAC(4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane
SMILESCC(C)(C)C(=C(C#C[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C18H36Si2/c1-17(2,3)16(18(4,5)6)15(20(10,11)12)13-14-19(7,8)9/h1-12H3
InChIKeyWJVMEXCNJVBDKI-UHFFFAOYSA-N
MW308.66 g/mol
LogP6.13
Rot. Bonds1

About (4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane

(4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane (PubChem CID 46918893) has the molecular formula C18H36Si2 and a molecular weight of 308.66 g/mol. Its IUPAC name is (4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane.

Molecular Properties

Compound Name(4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane
PubChem CID46918893
Molecular FormulaC18H36Si2
Molecular Weight308.66 g/mol
Exact Mass308.24
IUPAC Name(4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane
SMILESCC(C)(C)C(=C(C#C[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C18H36Si2/c1-17(2,3)16(18(4,5)6)15(20(10,11)12)13-14-19(7,8)9/h1-12H3
InChIKeyWJVMEXCNJVBDKI-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.66
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane?
The IUPAC name of (4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane (CID 46918893) is (4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane.
What is the SMILES notation for (4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane?
The canonical SMILES for (4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane is CC(C)(C)C(=C(C#C[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of (4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane?
The InChIKey is WJVMEXCNJVBDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36Si2/c1-17(2,3)16(18(4,5)6)15(20(10,11)12)13-14-19(7,8)9/h1-12H3.
What are the key properties of (4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane?
(4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane has a molecular weight of 308.66 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-5,5-dimethyl-1-trimethylsilylhex-3-en-1-yn-3-yl)-trimethylsilane is sourced from PubChem (CID 46918893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).