methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate

C18H38O3Si2 — CID 101404342

IUPACmethyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate
SMILESCCCC/C=C(\C[Si](C)(C)C)C(O[Si](C)(C)C)C(C)C(=O)OC
InChIInChI=1S/C18H38O3Si2/c1-10-11-12-13-16(14-22(4,5)6)17(21-23(7,8)9)15(2)18(19)20-3/h13,15,17H,10-12,14H2,1-9H3/b16-13+
InChIKeyJFBIAPODJDOKOY-DTQAZKPQSA-N
MW358.67 g/mol
LogP5.47
Rot. Bonds10

About methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate

methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate (PubChem CID 101404342) has the molecular formula C18H38O3Si2 and a molecular weight of 358.67 g/mol. Its IUPAC name is methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate
PubChem CID101404342
Molecular FormulaC18H38O3Si2
Molecular Weight358.67 g/mol
Exact Mass358.24
IUPAC Namemethyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate
SMILESCCCC/C=C(\C[Si](C)(C)C)C(O[Si](C)(C)C)C(C)C(=O)OC
InChIInChI=1S/C18H38O3Si2/c1-10-11-12-13-16(14-22(4,5)6)17(21-23(7,8)9)15(2)18(19)20-3/h13,15,17H,10-12,14H2,1-9H3/b16-13+
InChIKeyJFBIAPODJDOKOY-DTQAZKPQSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
tert-butyl (Z,2R,3R,4S)-6-iodo-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhept-5-enoate
CID 42600669
[(2S,4Z,6R)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-8-oxo-2,3,6,7-tetrahydrooxocin-6-yl] acetate
CID 101340982
methyl (1R,2S)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 102515896
ethyl (E,2R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 125295114
methyl (Z,3S)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,2,4-trimethylhept-4-en-6-ynoate
CID 134887289
ethyl (Z,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,6-dimethylhept-5-enoate
CID 134952080
methyl (1R,2R)-4-methyl-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134979475
methyl (1R,2R)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134980044
methyl (1R,2S)-2-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134991352
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylhex-3-enoate
CID 139263494

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate?
The IUPAC name of methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate (CID 101404342) is methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate.
What is the SMILES notation for methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate?
The canonical SMILES for methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate is CCCC/C=C(\C[Si](C)(C)C)C(O[Si](C)(C)C)C(C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate?
The InChIKey is JFBIAPODJDOKOY-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H38O3Si2/c1-10-11-12-13-16(14-22(4,5)6)17(21-23(7,8)9)15(2)18(19)20-3/h13,15,17H,10-12,14H2,1-9H3/b16-13+.
What are the key properties of methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate?
methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate has a molecular weight of 358.67 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-methyl-4-(trimethylsilylmethyl)-3-trimethylsilyloxynon-4-enoate is sourced from PubChem (CID 101404342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).