ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate

C16H30O4Si — CID 10519360

IUPACethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate
SMILESC=C(C)O[C@@H](/C=C\C(=O)OCC)CO[Si](CC)(CC)CC
InChIInChI=1S/C16H30O4Si/c1-7-18-16(17)12-11-15(20-14(5)6)13-19-21(8-2,9-3)10-4/h11-12,15H,5,7-10,13H2,1-4,6H3/b12-11-/t15-/m0/s1
InChIKeyTVVVAECKKCZNCT-SSCKCOOKSA-N
MW314.50 g/mol
LogP4.05
Rot. Bonds11

About ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate

ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate (PubChem CID 10519360) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate.

Molecular Properties

Compound Nameethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate
PubChem CID10519360
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Nameethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate
SMILESC=C(C)O[C@@H](/C=C\C(=O)OCC)CO[Si](CC)(CC)CC
InChIInChI=1S/C16H30O4Si/c1-7-18-16(17)12-11-15(20-14(5)6)13-19-21(8-2,9-3)10-4/h11-12,15H,5,7-10,13H2,1-4,6H3/b12-11-/t15-/m0/s1
InChIKeyTVVVAECKKCZNCT-SSCKCOOKSA-N
XLogP4.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate with MolForge

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Related Compounds

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
Fur020
CID 9992141
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluoro-2H-furan-5-one
CID 15403702
(5R)-5-[[butyl(dimethyl)silyl]oxymethyl]-5-fluorofuran-2-one
CID 66884172

Frequently Asked Questions

What is the IUPAC name of ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate?
The IUPAC name of ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate (CID 10519360) is ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate.
What is the SMILES notation for ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate?
The canonical SMILES for ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate is C=C(C)O[C@@H](/C=C\C(=O)OCC)CO[Si](CC)(CC)CC.
What is the InChIKey of ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate?
The InChIKey is TVVVAECKKCZNCT-SSCKCOOKSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-7-18-16(17)12-11-15(20-14(5)6)13-19-21(8-2,9-3)10-4/h11-12,15H,5,7-10,13H2,1-4,6H3/b12-11-/t15-/m0/s1.
What are the key properties of ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate?
ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate has a molecular weight of 314.50 g/mol, XLogP of 4.05, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z,4S)-4-prop-1-en-2-yloxy-5-triethylsilyloxypent-2-enoate is sourced from PubChem (CID 10519360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).