(2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol

C14H30O4Si — CID 89102216

IUPAC(2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol
SMILESC=C(C)C[C@H](OC)[C@@H](CO)OCOCC[Si](C)(C)C
InChIInChI=1S/C14H30O4Si/c1-12(2)9-13(16-3)14(10-15)18-11-17-7-8-19(4,5)6/h13-15H,1,7-11H2,2-6H3/t13-,14+/m0/s1
InChIKeyKQVTWGXZYGTKFX-UONOGXRCSA-N
MW290.48 g/mol
LogP2.66
Rot. Bonds11

About (2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol

(2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol (PubChem CID 89102216) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol.

Molecular Properties

Compound Name(2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol
PubChem CID89102216
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name(2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol
SMILESC=C(C)C[C@H](OC)[C@@H](CO)OCOCC[Si](C)(C)C
InChIInChI=1S/C14H30O4Si/c1-12(2)9-13(16-3)14(10-15)18-11-17-7-8-19(4,5)6/h13-15H,1,7-11H2,2-6H3/t13-,14+/m0/s1
InChIKeyKQVTWGXZYGTKFX-UONOGXRCSA-N
XLogP2.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.66
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 (2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol?
The IUPAC name of (2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol (CID 89102216) is (2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol.
What is the SMILES notation for (2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol?
The canonical SMILES for (2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol is C=C(C)C[C@H](OC)[C@@H](CO)OCOCC[Si](C)(C)C.
What is the InChIKey of (2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol?
The InChIKey is KQVTWGXZYGTKFX-UONOGXRCSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-12(2)9-13(16-3)14(10-15)18-11-17-7-8-19(4,5)6/h13-15H,1,7-11H2,2-6H3/t13-,14+/m0/s1.
What are the key properties of (2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol?
(2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol has a molecular weight of 290.48 g/mol, XLogP of 2.66, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol is sourced from PubChem (CID 89102216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).