lithium 3,5-ditert-butyl-4-hydroxybenzoate

C15H21LiO3 — CID 139788661

IUPAClithium 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCC(C)(C)c1cc(C(=O)[O-])cc(C(C)(C)C)c1O.[Li+]
InChIInChI=1S/C15H22O3.Li/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6;/h7-8,16H,1-6H3,(H,17,18);/q;+1/p-1
InChIKeyOGEFELQONGSXKY-UHFFFAOYSA-M
MW256.27 g/mol
LogP-0.65
Rot. Bonds1

About lithium 3,5-ditert-butyl-4-hydroxybenzoate

lithium 3,5-ditert-butyl-4-hydroxybenzoate (PubChem CID 139788661) has the molecular formula C15H21LiO3 and a molecular weight of 256.27 g/mol. Its IUPAC name is lithium 3,5-ditert-butyl-4-hydroxybenzoate.

Molecular Properties

Compound Namelithium 3,5-ditert-butyl-4-hydroxybenzoate
PubChem CID139788661
Molecular FormulaC15H21LiO3
Molecular Weight256.27 g/mol
Exact Mass256.17
IUPAC Namelithium 3,5-ditert-butyl-4-hydroxybenzoate
SMILESCC(C)(C)c1cc(C(=O)[O-])cc(C(C)(C)C)c1O.[Li+]
InChIInChI=1S/C15H22O3.Li/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6;/h7-8,16H,1-6H3,(H,17,18);/q;+1/p-1
InChIKeyOGEFELQONGSXKY-UHFFFAOYSA-M
XLogP-0.65
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
CID 153384878
CID 153384878
3,5-ditert-butylbenzoate
CID 6951692
2-chloro-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 14210977
2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
CID 143396007
1,8-bis(3,5-ditert-butyl-4-hydroxyphenyl)octane-1,8-dione
CID 74763904
S-(3,5-ditert-butyl-4-hydroxyphenyl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate
CID 57066094
(3,5-ditert-butyl-4-hydroxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 25142145
5-tert-butyl-4-hydroxybenzene-1,3-dicarboxylic acid
CID 71441710
methyl 3-tert-butyl-5-[5-(3-tert-butyl-2-hydroxy-5-methoxycarbonylphenyl)-2,5-dimethylhexan-2-yl]-4-hydroxybenzoate
CID 146363427
potassium 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropanoate
CID 23687694
6-(3,5-ditert-butyl-4-hydroxybenzoyl)oxyhexyl 3,5-ditert-butyl-4-hydroxybenzoate
CID 15333522

Frequently Asked Questions

What is the IUPAC name of lithium 3,5-ditert-butyl-4-hydroxybenzoate?
The IUPAC name of lithium 3,5-ditert-butyl-4-hydroxybenzoate (CID 139788661) is lithium 3,5-ditert-butyl-4-hydroxybenzoate.
What is the SMILES notation for lithium 3,5-ditert-butyl-4-hydroxybenzoate?
The canonical SMILES for lithium 3,5-ditert-butyl-4-hydroxybenzoate is CC(C)(C)c1cc(C(=O)[O-])cc(C(C)(C)C)c1O.[Li+].
What is the InChIKey of lithium 3,5-ditert-butyl-4-hydroxybenzoate?
The InChIKey is OGEFELQONGSXKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H22O3.Li/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6;/h7-8,16H,1-6H3,(H,17,18);/q;+1/p-1.
What are the key properties of lithium 3,5-ditert-butyl-4-hydroxybenzoate?
lithium 3,5-ditert-butyl-4-hydroxybenzoate has a molecular weight of 256.27 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,5-ditert-butyl-4-hydroxybenzoate is sourced from PubChem (CID 139788661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).