tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite

C30H57O3P — CID 586985

IUPACtris(5-methyl-2-propan-2-ylcyclohexyl) phosphite
SMILESCC1CCC(C(C)C)C(OP(OC2CC(C)CCC2C(C)C)OC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C30H57O3P/c1-19(2)25-13-10-22(7)16-28(25)31-34(32-29-17-23(8)11-14-26(29)20(3)4)33-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3
InChIKeyZYWWWADPKQOOEL-UHFFFAOYSA-N
MW496.76 g/mol
LogP9.65
Rot. Bonds9

About tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite

tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite (PubChem CID 586985) has the molecular formula C30H57O3P and a molecular weight of 496.76 g/mol. Its IUPAC name is tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite.

Molecular Properties

Compound Nametris(5-methyl-2-propan-2-ylcyclohexyl) phosphite
PubChem CID586985
Molecular FormulaC30H57O3P
Molecular Weight496.76 g/mol
Exact Mass496.40
IUPAC Nametris(5-methyl-2-propan-2-ylcyclohexyl) phosphite
SMILESCC1CCC(C(C)C)C(OP(OC2CC(C)CCC2C(C)C)OC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C30H57O3P/c1-19(2)25-13-10-22(7)16-28(25)31-34(32-29-17-23(8)11-14-26(29)20(3)4)33-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3
InChIKeyZYWWWADPKQOOEL-UHFFFAOYSA-N
XLogP9.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.76
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, triester with boric acid (H3BO3)
CID 4452360
bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanyl-sulfanylidene-lambda5-phosphane
CID 15372034
Menthyl borate
CID 102455
Phosphorothioic acid, O,O-dimethyl O-p-menth-3-yl ester
CID 205682
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
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
Dimenthyl hydrogen phosphite
CID 19382979
(1r)-Menthyl Hexyl Phosphonate
CID 21145328
Dimenthyl phosphonite
CID 68588217
tris[(1S,5R)-5-methyl-2-propan-2-ylcyclohexyl] borate
CID 123135744

Frequently Asked Questions

What is the IUPAC name of tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite?
The IUPAC name of tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite (CID 586985) is tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite.
What is the SMILES notation for tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite?
The canonical SMILES for tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite is CC1CCC(C(C)C)C(OP(OC2CC(C)CCC2C(C)C)OC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite?
The InChIKey is ZYWWWADPKQOOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57O3P/c1-19(2)25-13-10-22(7)16-28(25)31-34(32-29-17-23(8)11-14-26(29)20(3)4)33-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3.
What are the key properties of tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite?
tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite has a molecular weight of 496.76 g/mol, XLogP of 9.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(5-methyl-2-propan-2-ylcyclohexyl) phosphite is sourced from PubChem (CID 586985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).