ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate

C16H32O3Si — CID 10804207

IUPACethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate
SMILESCCOC(=O)CC(C)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-18-15(17)12-14(3)13(2)10-11-19-20(7,8)16(4,5)6/h10,14H,9,11-12H2,1-8H3/b13-10+
InChIKeyCVHCMBHOGHAHHO-JLHYYAGUSA-N
MW300.52 g/mol
LogP4.54
Rot. Bonds7

About ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate

ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate (PubChem CID 10804207) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate.

Molecular Properties

Compound Nameethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate
PubChem CID10804207
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nameethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate
SMILESCCOC(=O)CC(C)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-18-15(17)12-14(3)13(2)10-11-19-20(7,8)16(4,5)6/h10,14H,9,11-12H2,1-8H3/b13-10+
InChIKeyCVHCMBHOGHAHHO-JLHYYAGUSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.54
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

ethyl (E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 131668139
ethyl (Z,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-enoate
CID 154722300
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
ethyl (E,2R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 125295114
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyl]oxy}-methyl-5-methylocta-2,7-dienoate
CID 129758203
ethyl (2Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-methylidenecyclobutane-1-carboxylate
CID 134982348
ethyl (E)-2-but-3-enyl-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 135012716
(2R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 135015935
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate
CID 139263494
Ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate
CID 164665760
5-Heptenoic acid, 6-methyl-2-(1,1,1-trimethylsilyl)-, ethyl ester
CID 543913

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate?
The IUPAC name of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate (CID 10804207) is ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate.
What is the SMILES notation for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate?
The canonical SMILES for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate is CCOC(=O)CC(C)/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate?
The InChIKey is CVHCMBHOGHAHHO-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-18-15(17)12-14(3)13(2)10-11-19-20(7,8)16(4,5)6/h10,14H,9,11-12H2,1-8H3/b13-10+.
What are the key properties of ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate?
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate has a molecular weight of 300.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhex-4-enoate is sourced from PubChem (CID 10804207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).