lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone

C20H34LiOP — CID 174463953

IUPAClithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(C)C)c(C(=O)P)c(C(C)C)c1.[CH2-]C(C)C.[Li+]
InChIInChI=1S/C16H25OP.C4H9.Li/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;1-4(2)3;/h7-11H,18H2,1-6H3;4H,1H2,2-3H3;/q;-1;+1
InChIKeyDNDFQLUSWCRFSQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.55
Rot. Bonds4

About lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone

lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone (PubChem CID 174463953) has the molecular formula C20H34LiOP and a molecular weight of 328.41 g/mol. Its IUPAC name is lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone.

Molecular Properties

Compound Namelithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone
PubChem CID174463953
Molecular FormulaC20H34LiOP
Molecular Weight328.41 g/mol
Exact Mass328.25
IUPAC Namelithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(C)C)c(C(=O)P)c(C(C)C)c1.[CH2-]C(C)C.[Li+]
InChIInChI=1S/C16H25OP.C4H9.Li/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;1-4(2)3;/h7-11H,18H2,1-6H3;4H,1H2,2-3H3;/q;-1;+1
InChIKeyDNDFQLUSWCRFSQ-UHFFFAOYSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone
CID 173244480
4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride
CID 15835314
2-hydroxy-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]butane-1,3-dione
CID 10687054
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one
CID 100949370
[5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide
CID 141022839
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
3-hydroxypropyl 2,4,6-tri(propan-2-yl)benzoate
CID 165416683
S-(3-hydroxy-3-phenylprop-1-en-2-yl) 2,4,6-tri(propan-2-yl)benzenecarbothioate
CID 12820140
lithium 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 155386874
2-hydroxy-3,5-di(propan-2-yl)benzoic acid;zinc
CID 70405598
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181

Frequently Asked Questions

What is the IUPAC name of lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The IUPAC name of lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone (CID 174463953) is lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone.
What is the SMILES notation for lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The canonical SMILES for lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone is CC(C)c1cc(C(C)C)c(C(=O)P)c(C(C)C)c1.[CH2-]C(C)C.[Li+].
What is the InChIKey of lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The InChIKey is DNDFQLUSWCRFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25OP.C4H9.Li/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;1-4(2)3;/h7-11H,18H2,1-6H3;4H,1H2,2-3H3;/q;-1;+1.
What are the key properties of lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone?
lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone has a molecular weight of 328.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone is sourced from PubChem (CID 174463953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).