5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane

C26H45O3P — CID 71218588

IUPAC5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane
SMILESCCCC1(CC)COP(Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)OC1
InChIInChI=1S/C26H45O3P/c1-12-14-26(13-2)17-27-30(28-18-26)29-22-20(24(6,7)8)15-19(23(3,4)5)16-21(22)25(9,10)11/h15-16H,12-14,17-18H2,1-11H3
InChIKeyCTZANFNFLMKWAW-UHFFFAOYSA-N
MW436.62 g/mol
LogP8.43
Rot. Bonds5

About 5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane

5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane (PubChem CID 71218588) has the molecular formula C26H45O3P and a molecular weight of 436.62 g/mol. Its IUPAC name is 5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane
PubChem CID71218588
Molecular FormulaC26H45O3P
Molecular Weight436.62 g/mol
Exact Mass436.31
IUPAC Name5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane
SMILESCCCC1(CC)COP(Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)OC1
InChIInChI=1S/C26H45O3P/c1-12-14-26(13-2)17-27-30(28-18-26)29-22-20(24(6,7)8)15-19(23(3,4)5)16-21(22)25(9,10)11/h15-16H,12-14,17-18H2,1-11H3
InChIKeyCTZANFNFLMKWAW-UHFFFAOYSA-N
XLogP8.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane?
The IUPAC name of 5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane (CID 71218588) is 5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane.
What is the SMILES notation for 5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane?
The canonical SMILES for 5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane is CCCC1(CC)COP(Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)OC1.
What is the InChIKey of 5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane?
The InChIKey is CTZANFNFLMKWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45O3P/c1-12-14-26(13-2)17-27-30(28-18-26)29-22-20(24(6,7)8)15-19(23(3,4)5)16-21(22)25(9,10)11/h15-16H,12-14,17-18H2,1-11H3.
What are the key properties of 5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane?
5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane has a molecular weight of 436.62 g/mol, XLogP of 8.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-propyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane is sourced from PubChem (CID 71218588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).