methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate

C16H26O4Si — CID 174504144

IUPACmethyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate
SMILESC=CC(=C[Si](C)(C)C)C(=O)OC(CCC)=C(C)C(=O)OC
InChIInChI=1S/C16H26O4Si/c1-8-10-14(12(3)15(17)19-4)20-16(18)13(9-2)11-21(5,6)7/h9,11H,2,8,10H2,1,3-7H3
InChIKeyQJEYDCQZQJQNHJ-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.77
Rot. Bonds7

About methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate

methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate (PubChem CID 174504144) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate
PubChem CID174504144
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namemethyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate
SMILESC=CC(=C[Si](C)(C)C)C(=O)OC(CCC)=C(C)C(=O)OC
InChIInChI=1S/C16H26O4Si/c1-8-10-14(12(3)15(17)19-4)20-16(18)13(9-2)11-21(5,6)7/h9,11H,2,8,10H2,1,3-7H3
InChIKeyQJEYDCQZQJQNHJ-UHFFFAOYSA-N
XLogP3.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-3-prop-2-enoyloxyhept-2-enoate
CID 174418180
methyl 2-methyl-3-[2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoyl]oxyhept-2-enoate
CID 175496726
methyl 2-methyl-3-propylhex-2-enoate
CID 15856734
ethane;methyl (E)-2-ethenylpent-2-enoate
CID 142289174
methyl (2Z)-2-(1-methoxyethylidene)-3-oxopentanoate
CID 58781562
trimethylsilyl 2-methyl-3-trimethylsilyloxyhex-2-eneperoxoate
CID 173459969
methyl 2-ethenylhepta-2,4,6-trienoate
CID 91067832
methyl (E)-2,3-dimethylhept-2-enoate
CID 15174019
dimethyl 2,3-dipropylbut-2-enedioate
CID 86118404
CID 156594935
CID 156594935
azane;methyl 2,3-dimethylpent-2-enoate;hydrochloride
CID 174493764
methoxymethane;methyl 2-oxobut-3-enoate;propane
CID 178123671

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate?
The IUPAC name of methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate (CID 174504144) is methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate.
What is the SMILES notation for methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate?
The canonical SMILES for methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate is C=CC(=C[Si](C)(C)C)C(=O)OC(CCC)=C(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate?
The InChIKey is QJEYDCQZQJQNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-8-10-14(12(3)15(17)19-4)20-16(18)13(9-2)11-21(5,6)7/h9,11H,2,8,10H2,1,3-7H3.
What are the key properties of methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate?
methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate has a molecular weight of 310.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-(trimethylsilylmethylidene)but-3-enoyloxy]hex-2-enoate is sourced from PubChem (CID 174504144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).