trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane

C16H30Si — CID 12663714

IUPACtrimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane
SMILESCC1=CCCC(C)(C)C1/C=C/C(C)[Si](C)(C)C
InChIInChI=1S/C16H30Si/c1-13-9-8-12-16(3,4)15(13)11-10-14(2)17(5,6)7/h9-11,14-15H,8,12H2,1-7H3/b11-10+
InChIKeyZZWGNZPDZGCHNP-ZHACJKMWSA-N
MW250.50 g/mol
LogP5.65
Rot. Bonds3

About trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane

trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane (PubChem CID 12663714) has the molecular formula C16H30Si and a molecular weight of 250.50 g/mol. Its IUPAC name is trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane
PubChem CID12663714
Molecular FormulaC16H30Si
Molecular Weight250.50 g/mol
Exact Mass250.21
IUPAC Nametrimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane
SMILESCC1=CCCC(C)(C)C1/C=C/C(C)[Si](C)(C)C
InChIInChI=1S/C16H30Si/c1-13-9-8-12-16(3,4)15(13)11-10-14(2)17(5,6)7/h9-11,14-15H,8,12H2,1-7H3/b11-10+
InChIKeyZZWGNZPDZGCHNP-ZHACJKMWSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.50
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane?
The IUPAC name of trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane (CID 12663714) is trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane.
What is the SMILES notation for trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane?
The canonical SMILES for trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane is CC1=CCCC(C)(C)C1/C=C/C(C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane?
The InChIKey is ZZWGNZPDZGCHNP-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H30Si/c1-13-9-8-12-16(3,4)15(13)11-10-14(2)17(5,6)7/h9-11,14-15H,8,12H2,1-7H3/b11-10+.
What are the key properties of trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane?
trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane has a molecular weight of 250.50 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]silane is sourced from PubChem (CID 12663714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).