ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane

C25H48O3P2 — CID 173176245

IUPACditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane
SMILESC.C.CC1OC(C)OC(C)P(c2ccccc2CP(C(C)(C)C)C(C)(C)C)C(C)O1
InChIInChI=1S/C23H40O3P2.2CH4/c1-16-24-17(2)26-19(4)28(18(3)25-16)21-14-12-11-13-20(21)15-27(22(5,6)7)23(8,9)10;;/h11-14,16-19H,15H2,1-10H3;2*1H4
InChIKeyUIDAJMUDUSHDMZ-UHFFFAOYSA-N
MW458.60 g/mol
LogP8.09
Rot. Bonds3

About ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane

ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane (PubChem CID 173176245) has the molecular formula C25H48O3P2 and a molecular weight of 458.60 g/mol. Its IUPAC name is ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane.

Molecular Properties

Compound Nameditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane
PubChem CID173176245
Molecular FormulaC25H48O3P2
Molecular Weight458.60 g/mol
Exact Mass458.31
IUPAC Nameditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane
SMILESC.C.CC1OC(C)OC(C)P(c2ccccc2CP(C(C)(C)C)C(C)(C)C)C(C)O1
InChIInChI=1S/C23H40O3P2.2CH4/c1-16-24-17(2)26-19(4)28(18(3)25-16)21-14-12-11-13-20(21)15-27(22(5,6)7)23(8,9)10;;/h11-14,16-19H,15H2,1-10H3;2*1H4
InChIKeyUIDAJMUDUSHDMZ-UHFFFAOYSA-N
XLogP8.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane with MolForge

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Related Compounds

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Benzyl-bis(2-ethoxyethyl)phosphane
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1,1-Dimethoxyethane;toluene
CID 20082033

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane?
The IUPAC name of ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane (CID 173176245) is ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane.
What is the SMILES notation for ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane?
The canonical SMILES for ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane is C.C.CC1OC(C)OC(C)P(c2ccccc2CP(C(C)(C)C)C(C)(C)C)C(C)O1.
What is the InChIKey of ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane?
The InChIKey is UIDAJMUDUSHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O3P2.2CH4/c1-16-24-17(2)26-19(4)28(18(3)25-16)21-14-12-11-13-20(21)15-27(22(5,6)7)23(8,9)10;;/h11-14,16-19H,15H2,1-10H3;2*1H4.
What are the key properties of ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane?
ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane has a molecular weight of 458.60 g/mol, XLogP of 8.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane is sourced from PubChem (CID 173176245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).