methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate

C17H28O2Si — CID 135042853

IUPACmethyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)C(C)(CC#C[Si](C)(C)C)C1(C)C=CCCC1
InChIInChI=1S/C17H28O2Si/c1-16(11-8-7-9-12-16)17(2,15(18)19-3)13-10-14-20(4,5)6/h8,11H,7,9,12-13H2,1-6H3
InChIKeyZBFURZNUBQLDSB-UHFFFAOYSA-N
MW292.50 g/mol
LogP4.18
Rot. Bonds3

About methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate

methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate (PubChem CID 135042853) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate
PubChem CID135042853
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Namemethyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate
SMILESCOC(=O)C(C)(CC#C[Si](C)(C)C)C1(C)C=CCCC1
InChIInChI=1S/C17H28O2Si/c1-16(11-8-7-9-12-16)17(2,15(18)19-3)13-10-14-20(4,5)6/h8,11H,7,9,12-13H2,1-6H3
InChIKeyZBFURZNUBQLDSB-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate 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 methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate?
The IUPAC name of methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate (CID 135042853) is methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate?
The canonical SMILES for methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate is COC(=O)C(C)(CC#C[Si](C)(C)C)C1(C)C=CCCC1.
What is the InChIKey of methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate?
The InChIKey is ZBFURZNUBQLDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-16(11-8-7-9-12-16)17(2,15(18)19-3)13-10-14-20(4,5)6/h8,11H,7,9,12-13H2,1-6H3.
What are the key properties of methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate?
methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate has a molecular weight of 292.50 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 135042853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).