methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate

C17H32O5Si — CID 15466795

IUPACmethyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
SMILESCOC(=O)/C=C/C(CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C17H32O5Si/c1-14(18)22-15(11-12-16(19)20-5)10-8-9-13-21-23(6,7)17(2,3)4/h11-12,15H,8-10,13H2,1-7H3/b12-11+
InChIKeyQRQRMHPTEYPCTK-VAWYXSNFSA-N
MW344.52 g/mol
LogP3.84
Rot. Bonds9

About methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate

methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate (PubChem CID 15466795) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
PubChem CID15466795
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Namemethyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
SMILESCOC(=O)/C=C/C(CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C17H32O5Si/c1-14(18)22-15(11-12-16(19)20-5)10-8-9-13-21-23(6,7)17(2,3)4/h11-12,15H,8-10,13H2,1-7H3/b12-11+
InChIKeyQRQRMHPTEYPCTK-VAWYXSNFSA-N
XLogP3.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.84
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
CID 9823928
prop-2-enyl (2Z)-2-[(2S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-methyloxan-3-ylidene]acetate
CID 44351422
5-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one
CID 11098627
methyl (Z)-3-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyloxolan-2-yl]prop-2-enoate
CID 138985052
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
ethyl (E)-3-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]prop-2-enoate
CID 15934809
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8-[tert-butyl(dimethyl)silyl]oxy-24-methyl-14,16-bis(triethylsilyloxy)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10974685
[(E,4S,5R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-2-methylideneundec-6-enyl] acetate
CID 11292014
ethyl (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enoate
CID 11825882
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
ethyl (E,5S,7R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyoct-2-enoate
CID 24756275
(3S)-3-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2,3-dihydropyran-6-one
CID 25186475

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The IUPAC name of methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate (CID 15466795) is methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate.
What is the SMILES notation for methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The canonical SMILES for methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate is COC(=O)/C=C/C(CCCCO[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
The InChIKey is QRQRMHPTEYPCTK-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-14(18)22-15(11-12-16(19)20-5)10-8-9-13-21-23(6,7)17(2,3)4/h11-12,15H,8-10,13H2,1-7H3/b12-11+.
What are the key properties of methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate?
methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate has a molecular weight of 344.52 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-acetyloxy-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate is sourced from PubChem (CID 15466795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).