lithium hexoxy(phenyl)phosphanide

C12H18LiOP — CID 141016272

IUPAClithium hexoxy(phenyl)phosphanide
SMILESCCCCCCO[P-]c1ccccc1.[Li+]
InChIInChI=1S/C12H18OP.Li/c1-2-3-4-8-11-13-14-12-9-6-5-7-10-12;/h5-7,9-10H,2-4,8,11H2,1H3;/q-1;+1
InChIKeyDBKIPHAKMWDGHJ-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.77
Rot. Bonds7

About lithium hexoxy(phenyl)phosphanide

lithium hexoxy(phenyl)phosphanide (PubChem CID 141016272) has the molecular formula C12H18LiOP and a molecular weight of 216.19 g/mol. Its IUPAC name is lithium hexoxy(phenyl)phosphanide.

Molecular Properties

Compound Namelithium hexoxy(phenyl)phosphanide
PubChem CID141016272
Molecular FormulaC12H18LiOP
Molecular Weight216.19 g/mol
Exact Mass216.13
IUPAC Namelithium hexoxy(phenyl)phosphanide
SMILESCCCCCCO[P-]c1ccccc1.[Li+]
InChIInChI=1S/C12H18OP.Li/c1-2-3-4-8-11-13-14-12-9-6-5-7-10-12;/h5-7,9-10H,2-4,8,11H2,1H3;/q-1;+1
InChIKeyDBKIPHAKMWDGHJ-UHFFFAOYSA-N
XLogP0.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phenyl(propoxy)phosphanide
CID 141016569
pentoxybenzene;undecane
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N-octoxyaniline
CID 53446638
2-octoxy-1-oxidopyridin-1-ium
CID 139607434
dodecyl phenyl sulfate
CID 14931957
phenyl undecyl sulfate
CID 154488683
2,2-di(undecoxy)ethylbenzene
CID 3023162
benzyl tridecyl sulfate
CID 169195796
9,10-dioctoxyanthracene
CID 21304201
CID 161209831
CID 161209831
CID 159146829
CID 159146829
CID 157196428
CID 157196428

Frequently Asked Questions

What is the IUPAC name of lithium hexoxy(phenyl)phosphanide?
The IUPAC name of lithium hexoxy(phenyl)phosphanide (CID 141016272) is lithium hexoxy(phenyl)phosphanide.
What is the SMILES notation for lithium hexoxy(phenyl)phosphanide?
The canonical SMILES for lithium hexoxy(phenyl)phosphanide is CCCCCCO[P-]c1ccccc1.[Li+].
What is the InChIKey of lithium hexoxy(phenyl)phosphanide?
The InChIKey is DBKIPHAKMWDGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OP.Li/c1-2-3-4-8-11-13-14-12-9-6-5-7-10-12;/h5-7,9-10H,2-4,8,11H2,1H3;/q-1;+1.
What are the key properties of lithium hexoxy(phenyl)phosphanide?
lithium hexoxy(phenyl)phosphanide has a molecular weight of 216.19 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hexoxy(phenyl)phosphanide is sourced from PubChem (CID 141016272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).