lithium pentoxymethoxymethylbenzene

C13H19LiO2 — CID 172535131

IUPAClithium pentoxymethoxymethylbenzene
SMILESC[CH-]CCCOCOCc1ccccc1.[Li+]
InChIInChI=1S/C13H19O2.Li/c1-2-3-7-10-14-12-15-11-13-8-5-4-6-9-13;/h2,4-6,8-9H,3,7,10-12H2,1H3;/q-1;+1
InChIKeyQNBVANCQSFWOND-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.19
Rot. Bonds8

About lithium pentoxymethoxymethylbenzene

lithium pentoxymethoxymethylbenzene (PubChem CID 172535131) has the molecular formula C13H19LiO2 and a molecular weight of 214.23 g/mol. Its IUPAC name is lithium pentoxymethoxymethylbenzene.

Molecular Properties

Compound Namelithium pentoxymethoxymethylbenzene
PubChem CID172535131
Molecular FormulaC13H19LiO2
Molecular Weight214.23 g/mol
Exact Mass214.15
IUPAC Namelithium pentoxymethoxymethylbenzene
SMILESC[CH-]CCCOCOCc1ccccc1.[Li+]
InChIInChI=1S/C13H19O2.Li/c1-2-3-7-10-14-12-15-11-13-8-5-4-6-9-13;/h2,4-6,8-9H,3,7,10-12H2,1H3;/q-1;+1
InChIKeyQNBVANCQSFWOND-UHFFFAOYSA-N
XLogP0.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

lithium ethoxymethoxymethylbenzene
CID 10888373
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
lithium;butoxymethylbenzene;hydride
CID 175482454
undec-10-ynoxymethoxymethylbenzene
CID 156529711
N-methyl-3-(phenylmethoxymethoxy)-N-(trifluoromethyl)propan-1-amine;3-[methyl(trifluoromethyl)amino]propan-1-ol
CID 161138267
butoxymethylbenzene;ethane
CID 145341806
ethane;phenylmethoxymethylbenzene
CID 90943549
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol
CID 100990652
(17-bromo-4,6,8,10,12,14-hexamethylheptadecoxy)methoxymethylbenzene
CID 172545244
2-(butoxymethoxy)ethylbenzene
CID 14640423
azane;hexoxymethylbenzene
CID 174805489

Frequently Asked Questions

What is the IUPAC name of lithium pentoxymethoxymethylbenzene?
The IUPAC name of lithium pentoxymethoxymethylbenzene (CID 172535131) is lithium pentoxymethoxymethylbenzene.
What is the SMILES notation for lithium pentoxymethoxymethylbenzene?
The canonical SMILES for lithium pentoxymethoxymethylbenzene is C[CH-]CCCOCOCc1ccccc1.[Li+].
What is the InChIKey of lithium pentoxymethoxymethylbenzene?
The InChIKey is QNBVANCQSFWOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O2.Li/c1-2-3-7-10-14-12-15-11-13-8-5-4-6-9-13;/h2,4-6,8-9H,3,7,10-12H2,1H3;/q-1;+1.
What are the key properties of lithium pentoxymethoxymethylbenzene?
lithium pentoxymethoxymethylbenzene has a molecular weight of 214.23 g/mol, XLogP of 0.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium pentoxymethoxymethylbenzene is sourced from PubChem (CID 172535131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).