ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate

C20H40O5Si — CID 11111889

IUPACethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate
SMILESCCOC(=O)/C(C)=C/CC[C@](C)(COCOC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O5Si/c1-10-24-18(21)17(2)12-11-13-20(6,14-23-16-22-7)15-25-26(8,9)19(3,4)5/h12H,10-11,13-16H2,1-9H3/b17-12+/t20-/m1/s1
InChIKeyBCCDPMRPLAVBJP-KEWOFRHOSA-N
MW388.62 g/mol
LogP4.92
Rot. Bonds12

About ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate

ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate (PubChem CID 11111889) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate.

Molecular Properties

Compound Nameethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate
PubChem CID11111889
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Nameethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate
SMILESCCOC(=O)/C(C)=C/CC[C@](C)(COCOC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O5Si/c1-10-24-18(21)17(2)12-11-13-20(6,14-23-16-22-7)15-25-26(8,9)19(3,4)5/h12H,10-11,13-16H2,1-9H3/b17-12+/t20-/m1/s1
InChIKeyBCCDPMRPLAVBJP-KEWOFRHOSA-N
XLogP4.92
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate with MolForge

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Related Compounds

(E)-7-(tert-Butyl-dimethyl-silanyloxy)-4,4-dimethyl-hept-2-enoic Acid ethyl Ester
CID 131748552
Ethyl 7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-2-enoate
CID 173640581
Dibutoxymethyl 6-ethoxysilyl-2-methylhex-2-enoate
CID 175295054
ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-6-methylhept-2-enoate
CID 11014235
ethyl (Z)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
CID 11502268
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,5-trimethylhex-2-enoate
CID 11823196
ethyl (E)-6-ethoxycarbonyloxy-2,2,4-trimethyl-3-triethylsilyloxyhex-4-enoate
CID 12167546
ethyl (E,4R,5R,6S)-7-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-2-enoate
CID 71484357

Frequently Asked Questions

What is the IUPAC name of ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate?
The IUPAC name of ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate (CID 11111889) is ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate.
What is the SMILES notation for ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate?
The canonical SMILES for ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate is CCOC(=O)/C(C)=C/CC[C@](C)(COCOC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate?
The InChIKey is BCCDPMRPLAVBJP-KEWOFRHOSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-10-24-18(21)17(2)12-11-13-20(6,14-23-16-22-7)15-25-26(8,9)19(3,4)5/h12H,10-11,13-16H2,1-9H3/b17-12+/t20-/m1/s1.
What are the key properties of ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate?
ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate has a molecular weight of 388.62 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(methoxymethoxy)-2,6-dimethylhept-2-enoate is sourced from PubChem (CID 11111889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).