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

C12H23IO2Si — CID 139249221

IUPAC(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC=C(I)[C@@H]1O
InChIInChI=1S/C12H23IO2Si/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h7,10-11,14H,6,8H2,1-5H3/t10-,11+/m1/s1
InChIKeyPBSIUOBAFFPPFU-MNOVXSKESA-N
MW354.30 g/mol
LogP3.85
Rot. Bonds2

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

(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol (PubChem CID 139249221) has the molecular formula C12H23IO2Si and a molecular weight of 354.30 g/mol. Its IUPAC name is (1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol
PubChem CID139249221
Molecular FormulaC12H23IO2Si
Molecular Weight354.30 g/mol
Exact Mass354.05
IUPAC Name(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC=C(I)[C@@H]1O
InChIInChI=1S/C12H23IO2Si/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h7,10-11,14H,6,8H2,1-5H3/t10-,11+/m1/s1
InChIKeyPBSIUOBAFFPPFU-MNOVXSKESA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 53.85
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

(1R,6S)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 10823268
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 58012739
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 15263360
(1R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-iodo-6-methylcyclohex-2-en-1-ol
CID 53388758
(1R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclohex-2-en-1-ol
CID 53474127
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-ol
CID 134967812
1-[Tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol
CID 164666320
(1S,4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-ol
CID 11172898
(1S,6S)-2-bromo-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 16105056
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686
(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-ol
CID 53483240

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol?
The IUPAC name of (1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol (CID 139249221) is (1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol.
What is the SMILES notation for (1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol?
The canonical SMILES for (1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1CCC=C(I)[C@@H]1O.
What is the InChIKey of (1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol?
The InChIKey is PBSIUOBAFFPPFU-MNOVXSKESA-N. The full InChI is InChI=1S/C12H23IO2Si/c1-12(2,3)16(4,5)15-10-8-6-7-9(13)11(10)14/h7,10-11,14H,6,8H2,1-5H3/t10-,11+/m1/s1.
What are the key properties of (1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol?
(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol has a molecular weight of 354.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclohex-2-en-1-ol is sourced from PubChem (CID 139249221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).