(Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol

C13H28O2Si — CID 134854743

IUPAC(Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@H](C)/C=C\CO
InChIInChI=1S/C13H28O2Si/c1-6-16(7-2,8-3)15-13(5)12(4)10-9-11-14/h9-10,12-14H,6-8,11H2,1-5H3/b10-9-/t12-,13+/m1/s1
InChIKeyIRFIWFUDECAOOE-BWFAQCLASA-N
MW244.45 g/mol
LogP3.58
Rot. Bonds8

About (Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol

(Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol (PubChem CID 134854743) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol.

Molecular Properties

Compound Name(Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol
PubChem CID134854743
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@H](C)/C=C\CO
InChIInChI=1S/C13H28O2Si/c1-6-16(7-2,8-3)15-13(5)12(4)10-9-11-14/h9-10,12-14H,6-8,11H2,1-5H3/b10-9-/t12-,13+/m1/s1
InChIKeyIRFIWFUDECAOOE-BWFAQCLASA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol?
The IUPAC name of (Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol (CID 134854743) is (Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol.
What is the SMILES notation for (Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol?
The canonical SMILES for (Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol is CC[Si](CC)(CC)O[C@@H](C)[C@H](C)/C=C\CO.
What is the InChIKey of (Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol?
The InChIKey is IRFIWFUDECAOOE-BWFAQCLASA-N. The full InChI is InChI=1S/C13H28O2Si/c1-6-16(7-2,8-3)15-13(5)12(4)10-9-11-14/h9-10,12-14H,6-8,11H2,1-5H3/b10-9-/t12-,13+/m1/s1.
What are the key properties of (Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol?
(Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol has a molecular weight of 244.45 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R,5S)-4-methyl-5-triethylsilyloxyhex-2-en-1-ol is sourced from PubChem (CID 134854743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).