tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate

C18H36O5Si — CID 56649701

IUPACtert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate
SMILESC=C(C)C[C@H](OC)[C@H](OCOCC[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H36O5Si/c1-14(2)12-15(20-6)16(17(19)23-18(3,4)5)22-13-21-10-11-24(7,8)9/h15-16H,1,10-13H2,2-9H3/t15-,16-/m0/s1
InChIKeyPMCXZZQPRSJODO-HOTGVXAUSA-N
MW360.57 g/mol
LogP4.01
Rot. Bonds11

About tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate

tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate (PubChem CID 56649701) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate
PubChem CID56649701
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Nametert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate
SMILESC=C(C)C[C@H](OC)[C@H](OCOCC[Si](C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H36O5Si/c1-14(2)12-15(20-6)16(17(19)23-18(3,4)5)22-13-21-10-11-24(7,8)9/h15-16H,1,10-13H2,2-9H3/t15-,16-/m0/s1
InChIKeyPMCXZZQPRSJODO-HOTGVXAUSA-N
XLogP4.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropanoyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate
CID 25170825
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587269
methyl (2S,3S)-3-methoxy-5-methyl-2-triethylsilyloxyhex-5-enoate
CID 44206673
(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid
CID 89102179
(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal
CID 89102201
methyl (4S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11256445

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate?
The IUPAC name of tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate (CID 56649701) is tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate.
What is the SMILES notation for tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate?
The canonical SMILES for tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate is C=C(C)C[C@H](OC)[C@H](OCOCC[Si](C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate?
The InChIKey is PMCXZZQPRSJODO-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-14(2)12-15(20-6)16(17(19)23-18(3,4)5)22-13-21-10-11-24(7,8)9/h15-16H,1,10-13H2,2-9H3/t15-,16-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate?
tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate has a molecular weight of 360.57 g/mol, XLogP of 4.01, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoate is sourced from PubChem (CID 56649701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).