lithium (2,4,6-tripropoxyphenyl)phosphanide

C15H24LiO3P — CID 141016001

IUPAClithium (2,4,6-tripropoxyphenyl)phosphanide
SMILESCCCOc1cc(OCCC)c([PH-])c(OCCC)c1.[Li+]
InChIInChI=1S/C15H24O3P.Li/c1-4-7-16-12-10-13(17-8-5-2)15(19)14(11-12)18-9-6-3;/h10-11,19H,4-9H2,1-3H3;/q-1;+1
InChIKeyKGAWABPEIFKOEG-UHFFFAOYSA-N
MW290.27 g/mol
LogP0.83
Rot. Bonds9

About lithium (2,4,6-tripropoxyphenyl)phosphanide

lithium (2,4,6-tripropoxyphenyl)phosphanide (PubChem CID 141016001) has the molecular formula C15H24LiO3P and a molecular weight of 290.27 g/mol. Its IUPAC name is lithium (2,4,6-tripropoxyphenyl)phosphanide.

Molecular Properties

Compound Namelithium (2,4,6-tripropoxyphenyl)phosphanide
PubChem CID141016001
Molecular FormulaC15H24LiO3P
Molecular Weight290.27 g/mol
Exact Mass290.16
IUPAC Namelithium (2,4,6-tripropoxyphenyl)phosphanide
SMILESCCCOc1cc(OCCC)c([PH-])c(OCCC)c1.[Li+]
InChIInChI=1S/C15H24O3P.Li/c1-4-7-16-12-10-13(17-8-5-2)15(19)14(11-12)18-9-6-3;/h10-11,19H,4-9H2,1-3H3;/q-1;+1
InChIKeyKGAWABPEIFKOEG-UHFFFAOYSA-N
XLogP0.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tributoxyaniline
CID 130240432
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
1,3-dibromo-5-propoxybenzene
CID 58270933
[2,4,6-tris(2-methylpropoxy)phenyl]phosphanide
CID 141016614
2,6-dimethoxy-4-propoxybenzaldehyde
CID 138453658
2,3,6,7-tetrapropoxyanthracene
CID 102343273
tris(2,4,6-tributoxyphenyl)sulfanium
CID 157331235
1-ethyl-3-methoxy-5-propoxybenzene
CID 143260185
N-ethyl-2,5-dipropoxyaniline
CID 82267866
1,3,5-tributoxybenzene
CID 15933337
1,2,3,4,5-pentapropoxybenzene
CID 91365553
(3,5-dipropoxyphenoxy)-trimethylsilane
CID 91732551

Frequently Asked Questions

What is the IUPAC name of lithium (2,4,6-tripropoxyphenyl)phosphanide?
The IUPAC name of lithium (2,4,6-tripropoxyphenyl)phosphanide (CID 141016001) is lithium (2,4,6-tripropoxyphenyl)phosphanide.
What is the SMILES notation for lithium (2,4,6-tripropoxyphenyl)phosphanide?
The canonical SMILES for lithium (2,4,6-tripropoxyphenyl)phosphanide is CCCOc1cc(OCCC)c([PH-])c(OCCC)c1.[Li+].
What is the InChIKey of lithium (2,4,6-tripropoxyphenyl)phosphanide?
The InChIKey is KGAWABPEIFKOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3P.Li/c1-4-7-16-12-10-13(17-8-5-2)15(19)14(11-12)18-9-6-3;/h10-11,19H,4-9H2,1-3H3;/q-1;+1.
What are the key properties of lithium (2,4,6-tripropoxyphenyl)phosphanide?
lithium (2,4,6-tripropoxyphenyl)phosphanide has a molecular weight of 290.27 g/mol, XLogP of 0.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,4,6-tripropoxyphenyl)phosphanide is sourced from PubChem (CID 141016001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).