methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate

C17H28O2Si — CID 132604875

IUPACmethyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate
SMILESCOC(=O)[C@@](C)(C#CC[Si](C)(C)C)[C@@]1(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,7,9,12,14H2,1-6H3/t16-,17+/m0/s1
InChIKeyLQYJZCUFJRCTNB-DLBZAZTESA-N
MW292.50 g/mol
LogP4.25
Rot. Bonds3

About methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate

methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate (PubChem CID 132604875) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate
PubChem CID132604875
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Namemethyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate
SMILESCOC(=O)[C@@](C)(C#CC[Si](C)(C)C)[C@@]1(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,7,9,12,14H2,1-6H3/t16-,17+/m0/s1
InChIKeyLQYJZCUFJRCTNB-DLBZAZTESA-N
XLogP4.25
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 ≤ 54.25
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate?
The IUPAC name of methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate (CID 132604875) is methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate.
What is the SMILES notation for methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate?
The canonical SMILES for methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate is COC(=O)[C@@](C)(C#CC[Si](C)(C)C)[C@@]1(C)C=CCCC1.
What is the InChIKey of methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate?
The InChIKey is LQYJZCUFJRCTNB-DLBZAZTESA-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,7,9,12,14H2,1-6H3/t16-,17+/m0/s1.
What are the key properties of methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate?
methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate has a molecular weight of 292.50 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-2-[(1R)-1-methylcyclohex-2-en-1-yl]-5-trimethylsilylpent-3-ynoate is sourced from PubChem (CID 132604875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).