tris(2,6-dimethoxycyclohexyl)phosphane

C24H45O6P — CID 44558720

IUPACtris(2,6-dimethoxycyclohexyl)phosphane
SMILESCOC1CCCC(OC)C1P(C1C(OC)CCCC1OC)C1C(OC)CCCC1OC
InChIInChI=1S/C24H45O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h16-24H,7-15H2,1-6H3
InChIKeyQLHVJZCCQFFXNM-UHFFFAOYSA-N
MW460.59 g/mol
LogP4.22
Rot. Bonds9

About tris(2,6-dimethoxycyclohexyl)phosphane

tris(2,6-dimethoxycyclohexyl)phosphane (PubChem CID 44558720) has the molecular formula C24H45O6P and a molecular weight of 460.59 g/mol. Its IUPAC name is tris(2,6-dimethoxycyclohexyl)phosphane.

Molecular Properties

Compound Nametris(2,6-dimethoxycyclohexyl)phosphane
PubChem CID44558720
Molecular FormulaC24H45O6P
Molecular Weight460.59 g/mol
Exact Mass460.30
IUPAC Nametris(2,6-dimethoxycyclohexyl)phosphane
SMILESCOC1CCCC(OC)C1P(C1C(OC)CCCC1OC)C1C(OC)CCCC1OC
InChIInChI=1S/C24H45O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h16-24H,7-15H2,1-6H3
InChIKeyQLHVJZCCQFFXNM-UHFFFAOYSA-N
XLogP4.22
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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(2,6-dimethoxycyclohexyl)phosphane?
The IUPAC name of tris(2,6-dimethoxycyclohexyl)phosphane (CID 44558720) is tris(2,6-dimethoxycyclohexyl)phosphane.
What is the SMILES notation for tris(2,6-dimethoxycyclohexyl)phosphane?
The canonical SMILES for tris(2,6-dimethoxycyclohexyl)phosphane is COC1CCCC(OC)C1P(C1C(OC)CCCC1OC)C1C(OC)CCCC1OC.
What is the InChIKey of tris(2,6-dimethoxycyclohexyl)phosphane?
The InChIKey is QLHVJZCCQFFXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h16-24H,7-15H2,1-6H3.
What are the key properties of tris(2,6-dimethoxycyclohexyl)phosphane?
tris(2,6-dimethoxycyclohexyl)phosphane has a molecular weight of 460.59 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,6-dimethoxycyclohexyl)phosphane is sourced from PubChem (CID 44558720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).