2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine

C24H39P3 — CID 15488402

IUPAC2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine
SMILESCC1(c2pc(C3(C)CCCCC3)pc(C3(C)CCCCC3)p2)CCCCC1
InChIInChI=1S/C24H39P3/c1-22(13-7-4-8-14-22)19-25-20(23(2)15-9-5-10-16-23)27-21(26-19)24(3)17-11-6-12-18-24/h4-18H2,1-3H3
InChIKeyPKRRVBPORCBZRH-UHFFFAOYSA-N
MW420.50 g/mol
LogP10.09
Rot. Bonds3

About 2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine

2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine (PubChem CID 15488402) has the molecular formula C24H39P3 and a molecular weight of 420.50 g/mol. Its IUPAC name is 2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine.

Molecular Properties

Compound Name2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine
PubChem CID15488402
Molecular FormulaC24H39P3
Molecular Weight420.50 g/mol
Exact Mass420.23
IUPAC Name2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine
SMILESCC1(c2pc(C3(C)CCCCC3)pc(C3(C)CCCCC3)p2)CCCCC1
InChIInChI=1S/C24H39P3/c1-22(13-7-4-8-14-22)19-25-20(23(2)15-9-5-10-16-23)27-21(26-19)24(3)17-11-6-12-18-24/h4-18H2,1-3H3
InChIKeyPKRRVBPORCBZRH-UHFFFAOYSA-N
XLogP10.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.50
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-2,6-bis(1-methylcyclohexyl)phenol
CID 22281157
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
3,5-bis(1-methylcyclopentyl)-1,2,4-oxazaphosphole
CID 101334310
4-(1-methylcycloheptyl)-2H-azadiphosphole
CID 91400839
2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine
CID 121389488
2,4-dimethyl-6-(1-methylcyclohexyl)phenol
CID 6485
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
2-methyl-5-(1-methylcyclohexyl)pyrimidine
CID 145419022
(1-methylcyclooctyl)methanamine
CID 80603984
2,2-dimethylcyclooctane-1,1-diol
CID 90109064

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine?
The IUPAC name of 2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine (CID 15488402) is 2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine.
What is the SMILES notation for 2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine?
The canonical SMILES for 2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine is CC1(c2pc(C3(C)CCCCC3)pc(C3(C)CCCCC3)p2)CCCCC1.
What is the InChIKey of 2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine?
The InChIKey is PKRRVBPORCBZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39P3/c1-22(13-7-4-8-14-22)19-25-20(23(2)15-9-5-10-16-23)27-21(26-19)24(3)17-11-6-12-18-24/h4-18H2,1-3H3.
What are the key properties of 2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine?
2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine has a molecular weight of 420.50 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1-methylcyclohexyl)-1,3,5-triphosphinine is sourced from PubChem (CID 15488402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).