[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate

C18H34O3Si — CID 11141986

IUPAC[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate
SMILESCC/C=C/CC(=O)OC(/C=C\CO[Si](C)(C)C(C)(C)C)CC
InChIInChI=1S/C18H34O3Si/c1-8-10-11-14-17(19)21-16(9-2)13-12-15-20-22(6,7)18(3,4)5/h10-13,16H,8-9,14-15H2,1-7H3/b11-10+,13-12-
InChIKeyGFUKZPPUAGOVPK-MRBUWEIXSA-N
MW326.55 g/mol
LogP5.24
Rot. Bonds9

About [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate

[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate (PubChem CID 11141986) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate.

Molecular Properties

Compound Name[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate
PubChem CID11141986
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate
SMILESCC/C=C/CC(=O)OC(/C=C\CO[Si](C)(C)C(C)(C)C)CC
InChIInChI=1S/C18H34O3Si/c1-8-10-11-14-17(19)21-16(9-2)13-12-15-20-22(6,7)18(3,4)5/h10-13,16H,8-9,14-15H2,1-7H3/b11-10+,13-12-
InChIKeyGFUKZPPUAGOVPK-MRBUWEIXSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.24
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'}

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Related Compounds

pentan-3-yl (E)-hex-3-enoate
CID 20667360
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol
CID 25137337
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
methyl (2E,4S,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate
CID 102043881
(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol
CID 102461539
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
2-methylpentan-3-yl (3Z,6Z)-nona-3,6-dienoate
CID 155014233
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enoate
CID 11601855
tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane
CID 71530233
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate
CID 11054827

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate?
The IUPAC name of [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate (CID 11141986) is [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate.
What is the SMILES notation for [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate?
The canonical SMILES for [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate is CC/C=C/CC(=O)OC(/C=C\CO[Si](C)(C)C(C)(C)C)CC.
What is the InChIKey of [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate?
The InChIKey is GFUKZPPUAGOVPK-MRBUWEIXSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-10-11-14-17(19)21-16(9-2)13-12-15-20-22(6,7)18(3,4)5/h10-13,16H,8-9,14-15H2,1-7H3/b11-10+,13-12-.
What are the key properties of [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate?
[(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate has a molecular weight of 326.55 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-yl] (E)-hex-3-enoate is sourced from PubChem (CID 11141986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).