lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide

C24H32LiO6P — CID 141015966

IUPAClithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide
SMILESCCC(C)Oc1ccc([P-]C(=O)c2c(OC)cc(OC)cc2OC)c(OC(C)CC)c1.[Li+]
InChIInChI=1S/C24H32O6P.Li/c1-8-15(3)29-17-10-11-22(19(12-17)30-16(4)9-2)31-24(25)23-20(27-6)13-18(26-5)14-21(23)28-7;/h10-16H,8-9H2,1-7H3;/q-1;+1
InChIKeyQIKKSQQGQQJYME-UHFFFAOYSA-N
MW454.43 g/mol
LogP2.48
Rot. Bonds12

About lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide

lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide (PubChem CID 141015966) has the molecular formula C24H32LiO6P and a molecular weight of 454.43 g/mol. Its IUPAC name is lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide.

Molecular Properties

Compound Namelithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide
PubChem CID141015966
Molecular FormulaC24H32LiO6P
Molecular Weight454.43 g/mol
Exact Mass454.21
IUPAC Namelithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide
SMILESCCC(C)Oc1ccc([P-]C(=O)c2c(OC)cc(OC)cc2OC)c(OC(C)CC)c1.[Li+]
InChIInChI=1S/C24H32O6P.Li/c1-8-15(3)29-17-10-11-22(19(12-17)30-16(4)9-2)31-24(25)23-20(27-6)13-18(26-5)14-21(23)28-7;/h10-16H,8-9H2,1-7H3;/q-1;+1
InChIKeyQIKKSQQGQQJYME-UHFFFAOYSA-N
XLogP2.48
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 52.48
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 lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide?
The IUPAC name of lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide (CID 141015966) is lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide.
What is the SMILES notation for lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide?
The canonical SMILES for lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide is CCC(C)Oc1ccc([P-]C(=O)c2c(OC)cc(OC)cc2OC)c(OC(C)CC)c1.[Li+].
What is the InChIKey of lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide?
The InChIKey is QIKKSQQGQQJYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O6P.Li/c1-8-15(3)29-17-10-11-22(19(12-17)30-16(4)9-2)31-24(25)23-20(27-6)13-18(26-5)14-21(23)28-7;/h10-16H,8-9H2,1-7H3;/q-1;+1.
What are the key properties of lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide?
lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide has a molecular weight of 454.43 g/mol, XLogP of 2.48, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide is sourced from PubChem (CID 141015966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).