(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol

C13H27IO2Si — CID 11199521

IUPAC(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)/C=C/I
InChIInChI=1S/C13H27IO2Si/c1-8-11(13(5,15)9-10-14)16-17(6,7)12(2,3)4/h9-11,15H,8H2,1-7H3/b10-9+/t11-,13+/m1/s1
InChIKeyWSDWHGGDNSMGDQ-FCSPZMLESA-N
MW370.35 g/mol
LogP4.49
Rot. Bonds5

About (E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol

(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol (PubChem CID 11199521) has the molecular formula C13H27IO2Si and a molecular weight of 370.35 g/mol. Its IUPAC name is (E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol.

Molecular Properties

Compound Name(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol
PubChem CID11199521
Molecular FormulaC13H27IO2Si
Molecular Weight370.35 g/mol
Exact Mass370.08
IUPAC Name(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)/C=C/I
InChIInChI=1S/C13H27IO2Si/c1-8-11(13(5,15)9-10-14)16-17(6,7)12(2,3)4/h9-11,15H,8H2,1-7H3/b10-9+/t11-,13+/m1/s1
InChIKeyWSDWHGGDNSMGDQ-FCSPZMLESA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
CID 91552534
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 173222661
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-(1-chloropropoxy)-dimethylsilane
CID 23216108
tert-butyl-dimethyl-pentan-3-yloxysilane;molecular hydrogen
CID 175100098
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
tert-butyl-[(E)-1-iodo-7,7-dimethyloct-1-en-3-yl]oxy-dimethylsilane
CID 22768571
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723

Frequently Asked Questions

What is the IUPAC name of (E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol?
The IUPAC name of (E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol (CID 11199521) is (E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol.
What is the SMILES notation for (E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol?
The canonical SMILES for (E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)/C=C/I.
What is the InChIKey of (E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol?
The InChIKey is WSDWHGGDNSMGDQ-FCSPZMLESA-N. The full InChI is InChI=1S/C13H27IO2Si/c1-8-11(13(5,15)9-10-14)16-17(6,7)12(2,3)4/h9-11,15H,8H2,1-7H3/b10-9+/t11-,13+/m1/s1.
What are the key properties of (E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol?
(E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol has a molecular weight of 370.35 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3-methylhex-1-en-3-ol is sourced from PubChem (CID 11199521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).