trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane

C17H30OSi — CID 14759134

IUPACtrimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane
SMILESC=C(C)/C=C(/O[Si](C)(C)C)C1=C(C)CCCC1(C)C
InChIInChI=1S/C17H30OSi/c1-13(2)12-15(18-19(6,7)8)16-14(3)10-9-11-17(16,4)5/h12H,1,9-11H2,2-8H3/b15-12+
InChIKeyJOAOAFNNQXPUIR-NTCAYCPXSA-N
MW278.51 g/mol
LogP5.82
Rot. Bonds4

About trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane

trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane (PubChem CID 14759134) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane
PubChem CID14759134
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametrimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane
SMILESC=C(C)/C=C(/O[Si](C)(C)C)C1=C(C)CCCC1(C)C
InChIInChI=1S/C17H30OSi/c1-13(2)12-15(18-19(6,7)8)16-14(3)10-9-11-17(16,4)5/h12H,1,9-11H2,2-8H3/b15-12+
InChIKeyJOAOAFNNQXPUIR-NTCAYCPXSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane?
The IUPAC name of trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane (CID 14759134) is trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane.
What is the SMILES notation for trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane?
The canonical SMILES for trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane is C=C(C)/C=C(/O[Si](C)(C)C)C1=C(C)CCCC1(C)C.
What is the InChIKey of trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane?
The InChIKey is JOAOAFNNQXPUIR-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H30OSi/c1-13(2)12-15(18-19(6,7)8)16-14(3)10-9-11-17(16,4)5/h12H,1,9-11H2,2-8H3/b15-12+.
What are the key properties of trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane?
trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane has a molecular weight of 278.51 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane is sourced from PubChem (CID 14759134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).