tris(2,3-ditert-butylcyclohexyl)phosphane

C42H81P — CID 175098089

IUPACtris(2,3-ditert-butylcyclohexyl)phosphane
SMILESCC(C)(C)C1CCCC(P(C2CCCC(C(C)(C)C)C2C(C)(C)C)C2CCCC(C(C)(C)C)C2C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C42H81P/c1-37(2,3)28-22-19-25-31(34(28)40(10,11)12)43(32-26-20-23-29(38(4,5)6)35(32)41(13,14)15)33-27-21-24-30(39(7,8)9)36(33)42(16,17)18/h28-36H,19-27H2,1-18H3
InChIKeyFKTOTAQEZISYOA-UHFFFAOYSA-N
MW617.08 g/mol
LogP14.10
Rot. Bonds3

About tris(2,3-ditert-butylcyclohexyl)phosphane

tris(2,3-ditert-butylcyclohexyl)phosphane (PubChem CID 175098089) has the molecular formula C42H81P and a molecular weight of 617.08 g/mol. Its IUPAC name is tris(2,3-ditert-butylcyclohexyl)phosphane.

Molecular Properties

Compound Nametris(2,3-ditert-butylcyclohexyl)phosphane
PubChem CID175098089
Molecular FormulaC42H81P
Molecular Weight617.08 g/mol
Exact Mass616.61
IUPAC Nametris(2,3-ditert-butylcyclohexyl)phosphane
SMILESCC(C)(C)C1CCCC(P(C2CCCC(C(C)(C)C)C2C(C)(C)C)C2CCCC(C(C)(C)C)C2C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C42H81P/c1-37(2,3)28-22-19-25-31(34(28)40(10,11)12)43(32-26-20-23-29(38(4,5)6)35(32)41(13,14)15)33-27-21-24-30(39(7,8)9)36(33)42(16,17)18/h28-36H,19-27H2,1-18H3
InChIKeyFKTOTAQEZISYOA-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.08
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2,3-ditert-butylcyclohexyl)phosphane?
The IUPAC name of tris(2,3-ditert-butylcyclohexyl)phosphane (CID 175098089) is tris(2,3-ditert-butylcyclohexyl)phosphane.
What is the SMILES notation for tris(2,3-ditert-butylcyclohexyl)phosphane?
The canonical SMILES for tris(2,3-ditert-butylcyclohexyl)phosphane is CC(C)(C)C1CCCC(P(C2CCCC(C(C)(C)C)C2C(C)(C)C)C2CCCC(C(C)(C)C)C2C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of tris(2,3-ditert-butylcyclohexyl)phosphane?
The InChIKey is FKTOTAQEZISYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H81P/c1-37(2,3)28-22-19-25-31(34(28)40(10,11)12)43(32-26-20-23-29(38(4,5)6)35(32)41(13,14)15)33-27-21-24-30(39(7,8)9)36(33)42(16,17)18/h28-36H,19-27H2,1-18H3.
What are the key properties of tris(2,3-ditert-butylcyclohexyl)phosphane?
tris(2,3-ditert-butylcyclohexyl)phosphane has a molecular weight of 617.08 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3-ditert-butylcyclohexyl)phosphane is sourced from PubChem (CID 175098089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).