4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane

C20H38O2S2 — CID 59444438

IUPAC4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OSSOC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C20H38O2S2/c1-13(2)17-9-7-15(5)11-19(17)21-23-24-22-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChIKeyZTQOUQGOZHUYNV-UHFFFAOYSA-N
MW374.66 g/mol
LogP7.15
Rot. Bonds7

About 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane

4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane (PubChem CID 59444438) has the molecular formula C20H38O2S2 and a molecular weight of 374.66 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
PubChem CID59444438
Molecular FormulaC20H38O2S2
Molecular Weight374.66 g/mol
Exact Mass374.23
IUPAC Name4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OSSOC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C20H38O2S2/c1-13(2)17-9-7-15(5)11-19(17)21-23-24-22-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChIKeyZTQOUQGOZHUYNV-UHFFFAOYSA-N
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane with MolForge

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Related Compounds

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, triester with boric acid (H3BO3)
CID 4452360
1,1'-Bicyclohexyl, 4-methoxy-4'-pentyl-
CID 556870
bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane
CID 15372034
Menthyl borate
CID 102455
(1S,2R,4R)-4-methyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70681561
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
bis[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] borate
CID 102601978
Trimenthol, triester with boric acid, stereoisomer
CID 91754652
O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate
CID 5142898
Dimenthyl hydrogen phosphite
CID 19382979
Menthoxytriethoxysilane
CID 21799376
Dimenthyl ether
CID 23139786

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane (CID 59444438) is 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(OSSOC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane?
The InChIKey is ZTQOUQGOZHUYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2S2/c1-13(2)17-9-7-15(5)11-19(17)21-23-24-22-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3.
What are the key properties of 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane?
4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane has a molecular weight of 374.66 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane is sourced from PubChem (CID 59444438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).