ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate

C15H28O3Si — CID 10934985

IUPACethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate
SMILESC=C/C=C/[C@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-8-10-11-13(12-14(16)17-9-2)18-19(6,7)15(3,4)5/h8,10-11,13H,1,9,12H2,2-7H3/b11-10+/t13-/m1/s1
InChIKeyRIMMGAZQBONZTN-OCHBPSSRSA-N
MW284.47 g/mol
LogP4.07
Rot. Bonds7

About ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate

ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate (PubChem CID 10934985) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate.

Molecular Properties

Compound Nameethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate
PubChem CID10934985
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nameethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate
SMILESC=C/C=C/[C@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-8-10-11-13(12-14(16)17-9-2)18-19(6,7)15(3,4)5/h8,10-11,13H,1,9,12H2,2-7H3/b11-10+/t13-/m1/s1
InChIKeyRIMMGAZQBONZTN-OCHBPSSRSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-trimethylsilyloxypent-4-enoate
CID 138971087
ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate
CID 134980795
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxyundec-4-en-6-ynoate
CID 135016356
methyl (5Z,8Z,11Z,14Z,16E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14,16-pentaenoate
CID 138982538
methyl (1R,2Z,6Z,8R)-8-trimethylsilyloxycycloocta-2,6-diene-1-carboxylate
CID 139250253
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enoate
CID 10401049
methyl (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enoate
CID 101611852
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11150361
Tert-butyl 3-[(tert-butyldimethylsilyl)oxy]pent-4-enoate
CID 14926561
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
CID 18709898
CID 18709898
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 56954181

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate?
The IUPAC name of ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate (CID 10934985) is ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate.
What is the SMILES notation for ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate?
The canonical SMILES for ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate is C=C/C=C/[C@H](CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate?
The InChIKey is RIMMGAZQBONZTN-OCHBPSSRSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-8-10-11-13(12-14(16)17-9-2)18-19(6,7)15(3,4)5/h8,10-11,13H,1,9,12H2,2-7H3/b11-10+/t13-/m1/s1.
What are the key properties of ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate?
ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate 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 ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate is sourced from PubChem (CID 10934985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).