tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane

C30H57OP — CID 140735561

IUPACtetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane
SMILESCCCCP(CCCC)(CCCC)(CCCC)Oc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C30H57OP/c1-11-15-22-32(23-16-12-2,24-17-13-3,25-18-14-4)31-28-26(29(5,6)7)20-19-21-27(28)30(8,9)10/h19-21H,11-18,22-25H2,1-10H3
InChIKeyIRTICYQEAHHGOG-UHFFFAOYSA-N
MW464.76 g/mol
LogP10.33
Rot. Bonds14

About tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane

tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane (PubChem CID 140735561) has the molecular formula C30H57OP and a molecular weight of 464.76 g/mol. Its IUPAC name is tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane.

Molecular Properties

Compound Nametetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane
PubChem CID140735561
Molecular FormulaC30H57OP
Molecular Weight464.76 g/mol
Exact Mass464.41
IUPAC Nametetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane
SMILESCCCCP(CCCC)(CCCC)(CCCC)Oc1c(C(C)(C)C)cccc1C(C)(C)C
InChIInChI=1S/C30H57OP/c1-11-15-22-32(23-16-12-2,24-17-13-3,25-18-14-4)31-28-26(29(5,6)7)20-19-21-27(28)30(8,9)10/h19-21H,11-18,22-25H2,1-10H3
InChIKeyIRTICYQEAHHGOG-UHFFFAOYSA-N
XLogP10.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.76
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butoxy-bis(2,6-ditert-butylphenoxy)alumane
CID 141314384
2-butoxy-3-tert-butylbenzaldehyde
CID 88941545
(2,6-ditert-butylphenyl) octadecanoate
CID 174610698
1-tert-butyl-2-heptoxybenzene
CID 64763672
1,3-ditert-butyl-2-tridecylbenzene
CID 56637291
O-(2-tert-butyl-6-propylphenyl)hydroxylamine
CID 155118579
1-tert-butyl-7-methoxynaphthalene
CID 608110
1,8-ditert-butyl-9-ethylcarbazole
CID 142290146
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548
(2,3-ditert-butylphenyl) didodecyl phosphite
CID 20512200
2-tert-butyl-6-pentadecylphenol
CID 151192860
4-butyl-8-tert-butylnaphthalen-1-ol
CID 23313268

Frequently Asked Questions

What is the IUPAC name of tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane?
The IUPAC name of tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane (CID 140735561) is tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane.
What is the SMILES notation for tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane?
The canonical SMILES for tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane is CCCCP(CCCC)(CCCC)(CCCC)Oc1c(C(C)(C)C)cccc1C(C)(C)C.
What is the InChIKey of tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane?
The InChIKey is IRTICYQEAHHGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57OP/c1-11-15-22-32(23-16-12-2,24-17-13-3,25-18-14-4)31-28-26(29(5,6)7)20-19-21-27(28)30(8,9)10/h19-21H,11-18,22-25H2,1-10H3.
What are the key properties of tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane?
tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane has a molecular weight of 464.76 g/mol, XLogP of 10.33, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutyl-(2,6-ditert-butylphenoxy)-λ5-phosphane is sourced from PubChem (CID 140735561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).