dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate

C17H30O6Si — CID 11993936

IUPACdimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate
SMILESCOC(=O)/C(=C/CC/C=C(/O[Si](C)(C)C(C)(C)C)C(=O)OC)OC
InChIInChI=1S/C17H30O6Si/c1-17(2,3)24(7,8)23-14(16(19)22-6)12-10-9-11-13(20-4)15(18)21-5/h11-12H,9-10H2,1-8H3/b13-11-,14-12+
InChIKeySQNAHKHJUUHVML-HEEUSZRZSA-N
MW358.51 g/mol
LogP3.55
Rot. Bonds8

About dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate

dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate (PubChem CID 11993936) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate.

Molecular Properties

Compound Namedimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate
PubChem CID11993936
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Namedimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate
SMILESCOC(=O)/C(=C/CC/C=C(/O[Si](C)(C)C(C)(C)C)C(=O)OC)OC
InChIInChI=1S/C17H30O6Si/c1-17(2,3)24(7,8)23-14(16(19)22-6)12-10-9-11-13(20-4)15(18)21-5/h11-12H,9-10H2,1-8H3/b13-11-,14-12+
InChIKeySQNAHKHJUUHVML-HEEUSZRZSA-N
XLogP3.55
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate with MolForge

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Related Compounds

benzyl (E)-2-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 132540362
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate
CID 11379901
dimethyl (Z)-2-methoxy-7-oxooct-2-enedioate
CID 11993938
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
dimethyl (Z)-2-methoxypent-2-enedioate
CID 5364212
methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate
CID 162557653
tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane
CID 102083309
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazopent-3-enoate
CID 156750246
methyl (Z)-2-acetamido-3-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10686840
2-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 150347977
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567

Frequently Asked Questions

What is the IUPAC name of dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate?
The IUPAC name of dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate (CID 11993936) is dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate.
What is the SMILES notation for dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate?
The canonical SMILES for dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate is COC(=O)/C(=C/CC/C=C(/O[Si](C)(C)C(C)(C)C)C(=O)OC)OC.
What is the InChIKey of dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate?
The InChIKey is SQNAHKHJUUHVML-HEEUSZRZSA-N. The full InChI is InChI=1S/C17H30O6Si/c1-17(2,3)24(7,8)23-14(16(19)22-6)12-10-9-11-13(20-4)15(18)21-5/h11-12H,9-10H2,1-8H3/b13-11-,14-12+.
What are the key properties of dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate?
dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate has a molecular weight of 358.51 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate is sourced from PubChem (CID 11993936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).