ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate

C17H32O5Si — CID 10617454

IUPACethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
SMILESCCOC(=O)/C=C(/C[Si](C)(C)C)[C@H](CC(=O)C(C)(C)CO)OC
InChIInChI=1S/C17H32O5Si/c1-8-22-16(20)9-13(11-23(5,6)7)14(21-4)10-15(19)17(2,3)12-18/h9,14,18H,8,10-12H2,1-7H3/b13-9-/t14-/m0/s1
InChIKeyCEGPBJYSLSLOEA-XXYUJHKVSA-N
MW344.52 g/mol
LogP2.81
Rot. Bonds10

About ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate

ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate (PubChem CID 10617454) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
PubChem CID10617454
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Nameethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
SMILESCCOC(=O)/C=C(/C[Si](C)(C)C)[C@H](CC(=O)C(C)(C)CO)OC
InChIInChI=1S/C17H32O5Si/c1-8-22-16(20)9-13(11-23(5,6)7)14(21-4)10-15(19)17(2,3)12-18/h9,14,18H,8,10-12H2,1-7H3/b13-9-/t14-/m0/s1
InChIKeyCEGPBJYSLSLOEA-XXYUJHKVSA-N
XLogP2.81
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (7R,8S)-7-hydroxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxyundeca-2,10-dienoate
CID 87960242
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
CID 10527290
ethyl (Z,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
CID 10545419
methyl (E,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,7-trimethyl-6-oxooct-2-enoate
CID 10576413
(6S,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-3,3,7-trimethyl-5,6-dihydro-2H-oxonine-4,9-dione
CID 10592264
ethyl (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
CID 10650487
ethyl (Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7,7-trimethyl-6-oxooct-2-enoate
CID 10719742
tert-butyl (2Z,6R,7S,8S)-7-hydroxy-4,4,6,8-tetramethyl-5-oxo-3-triethylsilyloxyundeca-2,10-dienoate
CID 11059495
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate
CID 13819555

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate?
The IUPAC name of ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate (CID 10617454) is ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate.
What is the SMILES notation for ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate?
The canonical SMILES for ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate is CCOC(=O)/C=C(/C[Si](C)(C)C)[C@H](CC(=O)C(C)(C)CO)OC.
What is the InChIKey of ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate?
The InChIKey is CEGPBJYSLSLOEA-XXYUJHKVSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-8-22-16(20)9-13(11-23(5,6)7)14(21-4)10-15(19)17(2,3)12-18/h9,14,18H,8,10-12H2,1-7H3/b13-9-/t14-/m0/s1.
What are the key properties of ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate?
ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate has a molecular weight of 344.52 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S)-8-hydroxy-4-methoxy-7,7-dimethyl-6-oxo-3-(trimethylsilylmethyl)oct-2-enoate is sourced from PubChem (CID 10617454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).