methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate

C15H28O3Si — CID 11437594

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate
SMILESC=CCCC(O[Si](C)(C)C(C)(C)C)C(=C)C(=O)OC
InChIInChI=1S/C15H28O3Si/c1-9-10-11-13(12(2)14(16)17-6)18-19(7,8)15(3,4)5/h9,13H,1-2,10-11H2,3-8H3
InChIKeyDPOYDKCQZKPGEY-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.07
Rot. Bonds7

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate (PubChem CID 11437594) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate
PubChem CID11437594
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate
SMILESC=CCCC(O[Si](C)(C)C(C)(C)C)C(=C)C(=O)OC
InChIInChI=1S/C15H28O3Si/c1-9-10-11-13(12(2)14(16)17-6)18-19(7,8)15(3,4)5/h9,13H,1-2,10-11H2,3-8H3
InChIKeyDPOYDKCQZKPGEY-UHFFFAOYSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.07
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87637853
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-yl] prop-2-enoate
CID 138976584
Ethyl (z)-2-(tetrahydrofuran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138985139
butyl (2E)-2-(trimethylsilylmethylidene)hexanoate
CID 10038060
Methyl 5-[tert-butyl(dimethyl)silyl]oxycyclopentene-1-carboxylate
CID 10978087
ethyl (E)-2-methylidene-7-tri(propan-2-yl)silyloxyhept-6-enoate
CID 11724843
ethyl (E)-2-methylidene-7-trimethylsilyloxyhept-6-enoate
CID 11777195
Ethyl 5-trimethylsilyloxycyclopentene-1-carboxylate
CID 13929846
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 15599666
Methyl 6-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehexanoate
CID 19880146
methyl (2Z)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87637852
ethyl (2E)-2-(iodomethylidene)-4-methyl-3-triethylsilyloxypent-4-enoate
CID 87639194

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate (CID 11437594) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate is C=CCCC(O[Si](C)(C)C(C)(C)C)C(=C)C(=O)OC.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate?
The InChIKey is DPOYDKCQZKPGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-9-10-11-13(12(2)14(16)17-6)18-19(7,8)15(3,4)5/h9,13H,1-2,10-11H2,3-8H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate has a molecular weight of 284.47 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenehept-6-enoate is sourced from PubChem (CID 11437594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).