(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid

C14H28O5Si — CID 89102179

IUPAC(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid
SMILESC=C(C)C[C@H](OC)[C@H](OCOCC[Si](C)(C)C)C(=O)O
InChIInChI=1S/C14H28O5Si/c1-11(2)9-12(17-3)13(14(15)16)19-10-18-7-8-20(4,5)6/h12-13H,1,7-10H2,2-6H3,(H,15,16)/t12-,13-/m0/s1
InChIKeyCNNUYSCDEKFFCA-STQMWFEESA-N
MW304.46 g/mol
LogP2.75
Rot. Bonds11

About (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid

(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid (PubChem CID 89102179) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid
PubChem CID89102179
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid
SMILESC=C(C)C[C@H](OC)[C@H](OCOCC[Si](C)(C)C)C(=O)O
InChIInChI=1S/C14H28O5Si/c1-11(2)9-12(17-3)13(14(15)16)19-10-18-7-8-20(4,5)6/h12-13H,1,7-10H2,2-6H3,(H,15,16)/t12-,13-/m0/s1
InChIKeyCNNUYSCDEKFFCA-STQMWFEESA-N
XLogP2.75
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid?
The IUPAC name of (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid (CID 89102179) is (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid.
What is the SMILES notation for (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid?
The canonical SMILES for (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid is C=C(C)C[C@H](OC)[C@H](OCOCC[Si](C)(C)C)C(=O)O.
What is the InChIKey of (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid?
The InChIKey is CNNUYSCDEKFFCA-STQMWFEESA-N. The full InChI is InChI=1S/C14H28O5Si/c1-11(2)9-12(17-3)13(14(15)16)19-10-18-7-8-20(4,5)6/h12-13H,1,7-10H2,2-6H3,(H,15,16)/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid?
(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid has a molecular weight of 304.46 g/mol, XLogP of 2.75, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enoic acid is sourced from PubChem (CID 89102179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).