bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane

C20H39O2PS2 — CID 15372034

IUPACbis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=S)(S)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C20H39O2PS2/c1-13(2)17-9-7-15(5)11-19(17)21-23(24,25)22-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3,(H,24,25)/t15-,16-,17+,18+,19-,20-/m1/s1
InChIKeyGYMAAVLOGBQPHE-XRNRSJMDSA-N
MW406.64 g/mol
LogP7.10
Rot. Bonds6

About bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane

bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 15372034) has the molecular formula C20H39O2PS2 and a molecular weight of 406.64 g/mol. Its IUPAC name is bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID15372034
Molecular FormulaC20H39O2PS2
Molecular Weight406.64 g/mol
Exact Mass406.21
IUPAC Namebis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=S)(S)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C20H39O2PS2/c1-13(2)17-9-7-15(5)11-19(17)21-23(24,25)22-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3,(H,24,25)/t15-,16-,17+,18+,19-,20-/m1/s1
InChIKeyGYMAAVLOGBQPHE-XRNRSJMDSA-N
XLogP7.10
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.64
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane with MolForge

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Launch Full Analysis

Related Compounds

4-Methyl-2-[(5-methyl-2-propan-2-ylcyclohexyl)oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 59444438
Phosphorothioic acid, O,O-dimethyl O-p-menth-3-yl ester
CID 205682
(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
Phosphite, tri-(-)-menthyl-
CID 586985
2-[Amino-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane
CID 3703917
O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate
CID 5142898
Phosphine oxide, cyclohexyl methyl menthyloxy-
CID 595889
Dimenthyl hydrogen phosphite
CID 19382979
(1r)-Menthyl Hexyl Phosphonate
CID 21145328
Dimenthyl phosphonite
CID 68588217
hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxophosphanium
CID 6398480

Frequently Asked Questions

What is the IUPAC name of bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane (CID 15372034) is bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=S)(S)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is GYMAAVLOGBQPHE-XRNRSJMDSA-N. The full InChI is InChI=1S/C20H39O2PS2/c1-13(2)17-9-7-15(5)11-19(17)21-23(24,25)22-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3,(H,24,25)/t15-,16-,17+,18+,19-,20-/m1/s1.
What are the key properties of bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane?
bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 406.64 g/mol, XLogP of 7.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 15372034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).