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

C14H28O4Si — CID 89102201

IUPAC(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal
SMILESC=C(C)C[C@H](OC)[C@@H](C=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C14H28O4Si/c1-12(2)9-13(16-3)14(10-15)18-11-17-7-8-19(4,5)6/h10,13-14H,1,7-9,11H2,2-6H3/t13-,14+/m0/s1
InChIKeyONQIVVNSRMDWJG-UONOGXRCSA-N
MW288.46 g/mol
LogP2.86
Rot. Bonds11

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

(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal (PubChem CID 89102201) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal
PubChem CID89102201
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal
SMILESC=C(C)C[C@H](OC)[C@@H](C=O)OCOCC[Si](C)(C)C
InChIInChI=1S/C14H28O4Si/c1-12(2)9-13(16-3)14(10-15)18-11-17-7-8-19(4,5)6/h10,13-14H,1,7-9,11H2,2-6H3/t13-,14+/m0/s1
InChIKeyONQIVVNSRMDWJG-UONOGXRCSA-N
XLogP2.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-enal?
The IUPAC name of (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal (CID 89102201) is (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal.
What is the SMILES notation for (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal?
The canonical SMILES for (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal is C=C(C)C[C@H](OC)[C@@H](C=O)OCOCC[Si](C)(C)C.
What is the InChIKey of (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal?
The InChIKey is ONQIVVNSRMDWJG-UONOGXRCSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-12(2)9-13(16-3)14(10-15)18-11-17-7-8-19(4,5)6/h10,13-14H,1,7-9,11H2,2-6H3/t13-,14+/m0/s1.
What are the key properties of (2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal?
(2S,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-enal has a molecular weight of 288.46 g/mol, XLogP of 2.86, 11 rotatable bonds, 0 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-enal is sourced from PubChem (CID 89102201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).