methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate

C16H32O3Si — CID 10566170

IUPACmethyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate
SMILESC=C(C)[C@H](CCO[Si](C)(C)C(C)(C)C)CCC(=O)OC
InChIInChI=1S/C16H32O3Si/c1-13(2)14(9-10-15(17)18-6)11-12-19-20(7,8)16(3,4)5/h14H,1,9-12H2,2-8H3/t14-/m0/s1
InChIKeyQANXDLPHDXAEHG-AWEZNQCLSA-N
MW300.52 g/mol
LogP4.54
Rot. Bonds8

About methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate

methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate (PubChem CID 10566170) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate.

Molecular Properties

Compound Namemethyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate
PubChem CID10566170
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Namemethyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate
SMILESC=C(C)[C@H](CCO[Si](C)(C)C(C)(C)C)CCC(=O)OC
InChIInChI=1S/C16H32O3Si/c1-13(2)14(9-10-15(17)18-6)11-12-19-20(7,8)16(3,4)5/h14H,1,9-12H2,2-8H3/t14-/m0/s1
InChIKeyQANXDLPHDXAEHG-AWEZNQCLSA-N
XLogP4.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
(R)-(+)-Citronellic acid, tert-butyldimethylsilyl ester
CID 91736184
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
ethyl (5E)-4-methyl-5-(trimethylsilyloxymethylidene)heptanoate
CID 13265454
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
Ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate
CID 134945987
ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate
CID 138979451
Ethyl 4-[1-[tert-butyl(dimethyl)silyl]ethyl]hex-5-enoate
CID 139263415
(3S)-3-[2-(trimethylsilylmethyl)prop-2-enyl]oxolan-2-one
CID 162404388
Ethyl 3-methyl-8-trimethylsilyl-7-(trimethylsilylmethyl)oct-6-enoate
CID 164665760
Cyclopentanecarboxylic acid, 3-(trimethylsilylmethylene)-, methyl ester
CID 5366900
(4R,5R)-4-prop-1-en-2-yl-5-[2-tri(propan-2-yl)silyloxyethyl]oxolan-2-one
CID 10592269

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate?
The IUPAC name of methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate (CID 10566170) is methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate.
What is the SMILES notation for methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate?
The canonical SMILES for methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate is C=C(C)[C@H](CCO[Si](C)(C)C(C)(C)C)CCC(=O)OC.
What is the InChIKey of methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate?
The InChIKey is QANXDLPHDXAEHG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-13(2)14(9-10-15(17)18-6)11-12-19-20(7,8)16(3,4)5/h14H,1,9-12H2,2-8H3/t14-/m0/s1.
What are the key properties of methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate?
methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate has a molecular weight of 300.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methylhex-5-enoate is sourced from PubChem (CID 10566170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).