(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol

C13H28O3Si — CID 102461539

IUPAC(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol
SMILESCO[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C13H28O3Si/c1-11(14)12(15-5)9-8-10-16-17(6,7)13(2,3)4/h8-9,11-12,14H,10H2,1-7H3/b9-8+/t11-,12+/m0/s1
InChIKeyWBTAROPEHJHNRA-VDTGWRSZSA-N
MW260.45 g/mol
LogP2.96
Rot. Bonds6

About (E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol

(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol (PubChem CID 102461539) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol.

Molecular Properties

Compound Name(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol
PubChem CID102461539
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol
SMILESCO[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)[C@H](C)O
InChIInChI=1S/C13H28O3Si/c1-11(14)12(15-5)9-8-10-16-17(6,7)13(2,3)4/h8-9,11-12,14H,10H2,1-7H3/b9-8+/t11-,12+/m0/s1
InChIKeyWBTAROPEHJHNRA-VDTGWRSZSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphorylbut-2-en-1-ol
CID 25137337
methyl (2E,4S,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate
CID 102043881
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
tert-butyl-[(2Z,4S,5S,6Z,8R)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-4,8-dimethylnona-2,6-dienoxy]-dimethylsilane
CID 102077004
[(E,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid
CID 101128575
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
1-[(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybut-2-enyl]pyrrolidin-2-one
CID 90164514
[[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]-hydroxyboranyl]oxidanium
CID 134971949
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol?
The IUPAC name of (E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol (CID 102461539) is (E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol.
What is the SMILES notation for (E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol?
The canonical SMILES for (E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol is CO[C@H](/C=C/CO[Si](C)(C)C(C)(C)C)[C@H](C)O.
What is the InChIKey of (E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol?
The InChIKey is WBTAROPEHJHNRA-VDTGWRSZSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-11(14)12(15-5)9-8-10-16-17(6,7)13(2,3)4/h8-9,11-12,14H,10H2,1-7H3/b9-8+/t11-,12+/m0/s1.
What are the key properties of (E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol?
(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol has a molecular weight of 260.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol is sourced from PubChem (CID 102461539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).