methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate

C19H36O3Si — CID 11233114

IUPACmethyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate
SMILESC=C(/C=C(\C)[C@@H](CC)O[Si](CC)(CC)CC)C[C@H](C)C(=O)OC
InChIInChI=1S/C19H36O3Si/c1-9-18(22-23(10-2,11-3)12-4)16(6)13-15(5)14-17(7)19(20)21-8/h13,17-18H,5,9-12,14H2,1-4,6-8H3/b16-13+/t17-,18+/m0/s1
InChIKeyHVLKIQSRPPSEQV-SHJQCXLZSA-N
MW340.58 g/mol
LogP5.49
Rot. Bonds11

About methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate

methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate (PubChem CID 11233114) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate.

Molecular Properties

Compound Namemethyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate
PubChem CID11233114
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Namemethyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate
SMILESC=C(/C=C(\C)[C@@H](CC)O[Si](CC)(CC)CC)C[C@H](C)C(=O)OC
InChIInChI=1S/C19H36O3Si/c1-9-18(22-23(10-2,11-3)12-4)16(6)13-15(5)14-17(7)19(20)21-8/h13,17-18H,5,9-12,14H2,1-4,6-8H3/b16-13+/t17-,18+/m0/s1
InChIKeyHVLKIQSRPPSEQV-SHJQCXLZSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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
(E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoic acid
CID 11045712
methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate
CID 11688696
methyl (E,2R,5R)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
CID 15720960
methyl (E,2S,5R)-2-butyl-5-[tert-butyl(dimethyl)silyl]oxyhex-3-enoate
CID 15720961
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-propylhex-3-enoate
CID 15921986
methyl (E,2R,4R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-7-methylidene-10-oxodec-5-enoate
CID 42604726
(5E,7S,8S,9Z,11Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,8,10,12-tetramethyltetradeca-5,9,11,13-tetraenoic acid
CID 101901407
ethyl (E,2R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 125295114
methyl (11R,12E,14Z)-11-[tert-butyl(dimethyl)silyl]oxyicosa-12,14-dien-5,8-diynoate
CID 134976599
(2R,4S,5E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 135015935

Frequently Asked Questions

What is the IUPAC name of methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate?
The IUPAC name of methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate (CID 11233114) is methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate.
What is the SMILES notation for methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate?
The canonical SMILES for methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate is C=C(/C=C(\C)[C@@H](CC)O[Si](CC)(CC)CC)C[C@H](C)C(=O)OC.
What is the InChIKey of methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate?
The InChIKey is HVLKIQSRPPSEQV-SHJQCXLZSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-9-18(22-23(10-2,11-3)12-4)16(6)13-15(5)14-17(7)19(20)21-8/h13,17-18H,5,9-12,14H2,1-4,6-8H3/b16-13+/t17-,18+/m0/s1.
What are the key properties of methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate?
methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate has a molecular weight of 340.58 g/mol, XLogP of 5.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2S,7R)-2,6-dimethyl-4-methylidene-7-triethylsilyloxynon-5-enoate is sourced from PubChem (CID 11233114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).