ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate

C17H26O3Si — CID 146166070

IUPACethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate
SMILESCCOC(=O)C/C(O[Si](C)(C)c1ccccc1)=C(\C)CC
InChIInChI=1S/C17H26O3Si/c1-6-14(3)16(13-17(18)19-7-2)20-21(4,5)15-11-9-8-10-12-15/h8-12H,6-7,13H2,1-5H3/b16-14-
InChIKeyJGMFQCSCBWBDHE-PEZBUJJGSA-N
MW306.48 g/mol
LogP3.75
Rot. Bonds7

About ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate

ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate (PubChem CID 146166070) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate
PubChem CID146166070
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Nameethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate
SMILESCCOC(=O)C/C(O[Si](C)(C)c1ccccc1)=C(\C)CC
InChIInChI=1S/C17H26O3Si/c1-6-14(3)16(13-17(18)19-7-2)20-21(4,5)15-11-9-8-10-12-15/h8-12H,6-7,13H2,1-5H3/b16-14-
InChIKeyJGMFQCSCBWBDHE-PEZBUJJGSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
CID 134967582
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sodium;1-O-ethyl 3-O-phenyl propanedioate;hydride
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ethyl 4-methyl-3-phenylpent-3-enoate
CID 14521609
ethyl (3E)-3-[[tert-butyl(diphenyl)silyl]hydrazinylidene]butanoate
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CID 6332799
CID 6332799
(2-ethoxy-2-oxoethyl)-diphenylsulfanium
CID 15442561
ethyl 3-anilino-3-oxopropanoate
CID 3016808
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
(Z)-4-[dimethyl(phenyl)silyl]oxy-6-trimethylsilylhex-4-en-2-one
CID 11001760
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CID 171623839

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate?
The IUPAC name of ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate (CID 146166070) is ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate.
What is the SMILES notation for ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate?
The canonical SMILES for ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate is CCOC(=O)C/C(O[Si](C)(C)c1ccccc1)=C(\C)CC.
What is the InChIKey of ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate?
The InChIKey is JGMFQCSCBWBDHE-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-6-14(3)16(13-17(18)19-7-2)20-21(4,5)15-11-9-8-10-12-15/h8-12H,6-7,13H2,1-5H3/b16-14-.
What are the key properties of ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate?
ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate has a molecular weight of 306.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate is sourced from PubChem (CID 146166070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).