methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate

C17H32O3Si — CID 101410326

IUPACmethyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate
SMILESC=CC(O[Si](CC)(CC)CC)C(C=C)C(C)(C)C(=O)OC
InChIInChI=1S/C17H32O3Si/c1-9-14(17(6,7)16(18)19-8)15(10-2)20-21(11-3,12-4)13-5/h9-10,14-15H,1-2,11-13H2,3-8H3
InChIKeyHMNYMZKLCPCBNY-UHFFFAOYSA-N
MW312.53 g/mol
LogP4.56
Rot. Bonds10

About methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate

methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate (PubChem CID 101410326) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate.

Molecular Properties

Compound Namemethyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate
PubChem CID101410326
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Namemethyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate
SMILESC=CC(O[Si](CC)(CC)CC)C(C=C)C(C)(C)C(=O)OC
InChIInChI=1S/C17H32O3Si/c1-9-14(17(6,7)16(18)19-8)15(10-2)20-21(11-3,12-4)13-5/h9-10,14-15H,1-2,11-13H2,3-8H3
InChIKeyHMNYMZKLCPCBNY-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,2-dimethyl-4-tri(propan-2-yl)silyloxyhept-6-enoate
CID 15214222
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-propylhex-3-enoate
CID 15921986
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 56964829
methyl (1S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 58681978
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 76451001
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 87513690
methyl (1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 91568913
3-(Tert-butyl-dimethyl-silanyloxymethyl)-2,2-dimethyl-pent-4-enoic acid methyl ester
CID 131727095
methyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-tributylstannylhex-5-enoate
CID 140552613
Methyl 4-dimethylsilyloxy-3-ethenyl-2,2,5,5-tetramethylhexanoate
CID 173005140
ethyl (3S,4R)-2,2,4-trimethyl-3-triethylsilyloxyhex-5-enoate
CID 12167547
ethyl (2R)-2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]pent-4-enoate
CID 21636407

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate?
The IUPAC name of methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate (CID 101410326) is methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate.
What is the SMILES notation for methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate?
The canonical SMILES for methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate is C=CC(O[Si](CC)(CC)CC)C(C=C)C(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate?
The InChIKey is HMNYMZKLCPCBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-9-14(17(6,7)16(18)19-8)15(10-2)20-21(11-3,12-4)13-5/h9-10,14-15H,1-2,11-13H2,3-8H3.
What are the key properties of methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate?
methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate has a molecular weight of 312.53 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethenyl-2,2-dimethyl-4-triethylsilyloxyhex-5-enoate is sourced from PubChem (CID 101410326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).