(1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol

C18H37IO3Si2 — CID 53474127

IUPAC(1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(I)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H37IO3Si2/c1-17(2,3)23(7,8)21-13-11-14(19)16(20)15(12-13)22-24(9,10)18(4,5)6/h11,13,15-16,20H,12H2,1-10H3/t13-,15+,16-/m0/s1
InChIKeyGPWKSIZBEBCPSC-IMJJTQAJSA-N
MW484.57 g/mol
LogP5.85
Rot. Bonds4

About (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol

(1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol (PubChem CID 53474127) has the molecular formula C18H37IO3Si2 and a molecular weight of 484.57 g/mol. Its IUPAC name is (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol
PubChem CID53474127
Molecular FormulaC18H37IO3Si2
Molecular Weight484.57 g/mol
Exact Mass484.13
IUPAC Name(1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(I)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C18H37IO3Si2/c1-17(2,3)23(7,8)21-13-11-14(19)16(20)15(12-13)22-24(9,10)18(4,5)6/h11,13,15-16,20H,12H2,1-10H3/t13-,15+,16-/m0/s1
InChIKeyGPWKSIZBEBCPSC-IMJJTQAJSA-N
XLogP5.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.57
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(Z,2R,3R)-5-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxyoctadec-4-ene-1,3-diol
CID 11455339
(1S,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 91998628
(1R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-2-iodocyclopent-2-en-1-ol
CID 134972897
(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol
CID 139249221
(1S,4S,5R,6R)-2-bromo-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 10929846
1-[4,5-Bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol
CID 19000646
(4S,5S,7S,E)-4,5,7-tris(tert-Butyldimethylsilyloxy)-2-methyloct-2-en-1-ol
CID 89570810
(E,4R,5R,7R)-4,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-en-1-ol
CID 89570838
(E,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-en-1-ol
CID 89570841

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol?
The IUPAC name of (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol (CID 53474127) is (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol?
The canonical SMILES for (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1C=C(I)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol?
The InChIKey is GPWKSIZBEBCPSC-IMJJTQAJSA-N. The full InChI is InChI=1S/C18H37IO3Si2/c1-17(2,3)23(7,8)21-13-11-14(19)16(20)15(12-13)22-24(9,10)18(4,5)6/h11,13,15-16,20H,12H2,1-10H3/t13-,15+,16-/m0/s1.
What are the key properties of (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol?
(1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol has a molecular weight of 484.57 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol is sourced from PubChem (CID 53474127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).