bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane

C20H39O2P — CID 68588217

IUPACbis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane
SMILESCC1CCC(C(C)C)C(OPOC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C20H39O2P/c1-13(2)17-9-7-15(5)11-19(17)21-23-22-20-12-16(6)8-10-18(20)14(3)4/h13-20,23H,7-12H2,1-6H3
InChIKeyYZLPSXGEOGKAIL-UHFFFAOYSA-N
MW342.50 g/mol
LogP6.45
Rot. Bonds6

About bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane

bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane (PubChem CID 68588217) has the molecular formula C20H39O2P and a molecular weight of 342.50 g/mol. Its IUPAC name is bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane.

Molecular Properties

Compound Namebis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane
PubChem CID68588217
Molecular FormulaC20H39O2P
Molecular Weight342.50 g/mol
Exact Mass342.27
IUPAC Namebis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane
SMILESCC1CCC(C(C)C)C(OPOC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C20H39O2P/c1-13(2)17-9-7-15(5)11-19(17)21-23-22-20-12-16(6)8-10-18(20)14(3)4/h13-20,23H,7-12H2,1-6H3
InChIKeyYZLPSXGEOGKAIL-UHFFFAOYSA-N
XLogP6.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-menthyl hexyl phosphonate group
CID 446980
bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane
CID 15372034
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
(1S)-menthyl hexyl phosphonate group
CID 446981
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

Frequently Asked Questions

What is the IUPAC name of bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane?
The IUPAC name of bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane (CID 68588217) is bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane.
What is the SMILES notation for bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane?
The canonical SMILES for bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane is CC1CCC(C(C)C)C(OPOC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane?
The InChIKey is YZLPSXGEOGKAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39O2P/c1-13(2)17-9-7-15(5)11-19(17)21-23-22-20-12-16(6)8-10-18(20)14(3)4/h13-20,23H,7-12H2,1-6H3.
What are the key properties of bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane?
bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane has a molecular weight of 342.50 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphane is sourced from PubChem (CID 68588217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).