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

C14H22LiO2P — CID 141016038

IUPAClithium [2,4-di(butan-2-yloxy)phenyl]phosphanide
SMILESCCC(C)Oc1ccc([PH-])c(OC(C)CC)c1.[Li+]
InChIInChI=1S/C14H22O2P.Li/c1-5-10(3)15-12-7-8-14(17)13(9-12)16-11(4)6-2;/h7-11,17H,5-6H2,1-4H3;/q-1;+1
InChIKeyKWAGRRSSGALEAG-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.81
Rot. Bonds6

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

lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide (PubChem CID 141016038) has the molecular formula C14H22LiO2P and a molecular weight of 260.24 g/mol. Its IUPAC name is lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide.

Molecular Properties

Compound Namelithium [2,4-di(butan-2-yloxy)phenyl]phosphanide
PubChem CID141016038
Molecular FormulaC14H22LiO2P
Molecular Weight260.24 g/mol
Exact Mass260.15
IUPAC Namelithium [2,4-di(butan-2-yloxy)phenyl]phosphanide
SMILESCCC(C)Oc1ccc([PH-])c(OC(C)CC)c1.[Li+]
InChIInChI=1S/C14H22O2P.Li/c1-5-10(3)15-12-7-8-14(17)13(9-12)16-11(4)6-2;/h7-11,17H,5-6H2,1-4H3;/q-1;+1
InChIKeyKWAGRRSSGALEAG-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-butan-2-yloxybenzonitrile
CID 107276996
lithium [2,4-di(butan-2-yloxy)phenyl]-(2,4,6-trimethoxybenzoyl)phosphanide
CID 141015966
N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine
CID 54804883
3-(4-butan-2-yloxy-2-methylphenyl)prop-2-yn-1-ol
CID 83134235
2-bromo-4-butan-2-yloxy-1-methylbenzene
CID 127004858
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-butan-2-yloxyaniline
CID 13097722
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
N-[[2,4-di(butan-2-yloxy)phenyl]methyl]hexan-1-amine
CID 54805292
6-butan-2-yloxynaphthalene-2-sulfonyl chloride
CID 135175462
5-butan-2-yloxy-1-benzotellurophene
CID 87575526
7-butan-2-yloxynaphthalen-2-ol
CID 43143670

Frequently Asked Questions

What is the IUPAC name of lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide?
The IUPAC name of lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide (CID 141016038) is lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide.
What is the SMILES notation for lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide?
The canonical SMILES for lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide is CCC(C)Oc1ccc([PH-])c(OC(C)CC)c1.[Li+].
What is the InChIKey of lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide?
The InChIKey is KWAGRRSSGALEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2P.Li/c1-5-10(3)15-12-7-8-14(17)13(9-12)16-11(4)6-2;/h7-11,17H,5-6H2,1-4H3;/q-1;+1.
What are the key properties of lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide?
lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide has a molecular weight of 260.24 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide is sourced from PubChem (CID 141016038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).