(Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol

C13H28O3Si — CID 11843756

IUPAC(Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol
SMILESC/C=C\[C@H](C)[C@@H](O)COCOCC[Si](C)(C)C
InChIInChI=1S/C13H28O3Si/c1-6-7-12(2)13(14)10-16-11-15-8-9-17(3,4)5/h6-7,12-14H,8-11H2,1-5H3/b7-6-/t12-,13-/m0/s1
InChIKeyPITYTDWWBFVBMI-JSIVBPPZSA-N
MW260.45 g/mol
LogP2.89
Rot. Bonds9

About (Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol

(Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol (PubChem CID 11843756) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol.

Molecular Properties

Compound Name(Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol
PubChem CID11843756
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol
SMILESC/C=C\[C@H](C)[C@@H](O)COCOCC[Si](C)(C)C
InChIInChI=1S/C13H28O3Si/c1-6-7-12(2)13(14)10-16-11-15-8-9-17(3,4)5/h6-7,12-14H,8-11H2,1-5H3/b7-6-/t12-,13-/m0/s1
InChIKeyPITYTDWWBFVBMI-JSIVBPPZSA-N
XLogP2.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol?
The IUPAC name of (Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol (CID 11843756) is (Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol.
What is the SMILES notation for (Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol?
The canonical SMILES for (Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol is C/C=C\[C@H](C)[C@@H](O)COCOCC[Si](C)(C)C.
What is the InChIKey of (Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol?
The InChIKey is PITYTDWWBFVBMI-JSIVBPPZSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-6-7-12(2)13(14)10-16-11-15-8-9-17(3,4)5/h6-7,12-14H,8-11H2,1-5H3/b7-6-/t12-,13-/m0/s1.
What are the key properties of (Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol?
(Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol has a molecular weight of 260.45 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol is sourced from PubChem (CID 11843756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).