iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane

C12H25IS — CID 130177362

IUPACiodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1S(C)(C)I
InChIInChI=1S/C12H25IS/c1-9(2)11-7-6-10(3)8-12(11)14(4,5)13/h9-12H,6-8H2,1-5H3/t10-,11+,12-/m1/s1
InChIKeyGGYJCUIZAQERNJ-GRYCIOLGSA-N
MW328.30 g/mol
LogP4.86
Rot. Bonds2

About iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane

iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane (PubChem CID 130177362) has the molecular formula C12H25IS and a molecular weight of 328.30 g/mol. Its IUPAC name is iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane.

Molecular Properties

Compound Nameiodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane
PubChem CID130177362
Molecular FormulaC12H25IS
Molecular Weight328.30 g/mol
Exact Mass328.07
IUPAC Nameiodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1S(C)(C)I
InChIInChI=1S/C12H25IS/c1-9(2)11-7-6-10(3)8-12(11)14(4,5)13/h9-12H,6-8H2,1-5H3/t10-,11+,12-/m1/s1
InChIKeyGGYJCUIZAQERNJ-GRYCIOLGSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride
CID 155973554
(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonic acid
CID 14806226
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile
CID 15325099
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 93286230
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
4-methyl-N-[methyl-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxo-λ6-sulfanylidene]benzenesulfonamide
CID 11728401
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843401

Frequently Asked Questions

What is the IUPAC name of iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane?
The IUPAC name of iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane (CID 130177362) is iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane.
What is the SMILES notation for iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane?
The canonical SMILES for iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1S(C)(C)I.
What is the InChIKey of iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane?
The InChIKey is GGYJCUIZAQERNJ-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H25IS/c1-9(2)11-7-6-10(3)8-12(11)14(4,5)13/h9-12H,6-8H2,1-5H3/t10-,11+,12-/m1/s1.
What are the key properties of iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane?
iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane has a molecular weight of 328.30 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-λ4-sulfane is sourced from PubChem (CID 130177362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).