lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide

C12H18LiOP — CID 141016382

IUPAClithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
SMILESCc1cc(OCCC(C)C)ccc1[PH-].[Li+]
InChIInChI=1S/C12H18OP.Li/c1-9(2)6-7-13-11-4-5-12(14)10(3)8-11;/h4-5,8-9,14H,6-7H2,1-3H3;/q-1;+1
InChIKeyAAFBJOISQWJWOL-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.19
Rot. Bonds4

About lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide

lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide (PubChem CID 141016382) has the molecular formula C12H18LiOP and a molecular weight of 216.19 g/mol. Its IUPAC name is lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide.

Molecular Properties

Compound Namelithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
PubChem CID141016382
Molecular FormulaC12H18LiOP
Molecular Weight216.19 g/mol
Exact Mass216.13
IUPAC Namelithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
SMILESCc1cc(OCCC(C)C)ccc1[PH-].[Li+]
InChIInChI=1S/C12H18OP.Li/c1-9(2)6-7-13-11-4-5-12(14)10(3)8-11;/h4-5,8-9,14H,6-7H2,1-3H3;/q-1;+1
InChIKeyAAFBJOISQWJWOL-UHFFFAOYSA-N
XLogP0.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.19
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

2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
4-(3,4-dimethylphenoxy)butan-2-amine
CID 43118968
1,3-dimethyl-5-(3-methylbutoxy)-2-propan-2-ylsulfanylbenzene
CID 118424857
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
CID 81279223
lithium benzoyl-[2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
CID 141016736
lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 173244960
trifluoro-[2-methyl-4-[2-(3-methylbutoxy)ethoxy]phenyl]boranuide
CID 83137045
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515180
2-methyl-4-(2-methylpropoxy)benzonitrile
CID 80502714
2-(bromomethyl)-1,4-bis(3-methylbutoxy)benzene
CID 59245479
1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine
CID 83134267

Frequently Asked Questions

What is the IUPAC name of lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide?
The IUPAC name of lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide (CID 141016382) is lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide.
What is the SMILES notation for lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide?
The canonical SMILES for lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide is Cc1cc(OCCC(C)C)ccc1[PH-].[Li+].
What is the InChIKey of lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide?
The InChIKey is AAFBJOISQWJWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OP.Li/c1-9(2)6-7-13-11-4-5-12(14)10(3)8-11;/h4-5,8-9,14H,6-7H2,1-3H3;/q-1;+1.
What are the key properties of lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide?
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide has a molecular weight of 216.19 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide is sourced from PubChem (CID 141016382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).