(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol

C18H39IO3Si2 — CID 71819486

IUPAC(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CI
InChIInChI=1S/C18H39IO3Si2/c1-12-15(21-23(8,9)17(2,3)4)16(14(20)13-19)22-24(10,11)18(5,6)7/h12,14-16,20H,1,13H2,2-11H3/t14-,15+,16+/m0/s1
InChIKeyOGKXUFNGMMAUOQ-ARFHVFGLSA-N
MW486.58 g/mol
LogP5.75
Rot. Bonds8

About (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol

(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol (PubChem CID 71819486) has the molecular formula C18H39IO3Si2 and a molecular weight of 486.58 g/mol. Its IUPAC name is (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol.

Molecular Properties

Compound Name(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol
PubChem CID71819486
Molecular FormulaC18H39IO3Si2
Molecular Weight486.58 g/mol
Exact Mass486.15
IUPAC Name(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CI
InChIInChI=1S/C18H39IO3Si2/c1-12-15(21-23(8,9)17(2,3)4)16(14(20)13-19)22-24(10,11)18(5,6)7/h12,14-16,20H,1,13H2,2-11H3/t14-,15+,16+/m0/s1
InChIKeyOGKXUFNGMMAUOQ-ARFHVFGLSA-N
XLogP5.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhex-5-en-1-ol
CID 10515260
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
(2R,3R,4R,5E,7R,8S)-1,3,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2,7-dimethyldeca-5,9-dien-4-ol
CID 122219893
(3R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyldeca-4,9-dien-3-ol
CID 123156116
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 11499712
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
CID 10524787

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol?
The IUPAC name of (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol (CID 71819486) is (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol.
What is the SMILES notation for (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol?
The canonical SMILES for (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CI.
What is the InChIKey of (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol?
The InChIKey is OGKXUFNGMMAUOQ-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H39IO3Si2/c1-12-15(21-23(8,9)17(2,3)4)16(14(20)13-19)22-24(10,11)18(5,6)7/h12,14-16,20H,1,13H2,2-11H3/t14-,15+,16+/m0/s1.
What are the key properties of (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol?
(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol has a molecular weight of 486.58 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol is sourced from PubChem (CID 71819486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).