lithium ethoxymethoxymethylbenzene

C10H13LiO2 — CID 10888373

IUPAClithium ethoxymethoxymethylbenzene
SMILESC[CH-]OCOCc1ccccc1.[Li+]
InChIInChI=1S/C10H13O2.Li/c1-2-11-9-12-8-10-6-4-3-5-7-10;/h2-7H,8-9H2,1H3;/q-1;+1
InChIKeySQMUPGUWNLSPBH-UHFFFAOYSA-N
MW172.15 g/mol
LogP-0.64
Rot. Bonds5

About lithium ethoxymethoxymethylbenzene

lithium ethoxymethoxymethylbenzene (PubChem CID 10888373) has the molecular formula C10H13LiO2 and a molecular weight of 172.15 g/mol. Its IUPAC name is lithium ethoxymethoxymethylbenzene.

Molecular Properties

Compound Namelithium ethoxymethoxymethylbenzene
PubChem CID10888373
Molecular FormulaC10H13LiO2
Molecular Weight172.15 g/mol
Exact Mass172.11
IUPAC Namelithium ethoxymethoxymethylbenzene
SMILESC[CH-]OCOCc1ccccc1.[Li+]
InChIInChI=1S/C10H13O2.Li/c1-2-11-9-12-8-10-6-4-3-5-7-10;/h2-7H,8-9H2,1H3;/q-1;+1
InChIKeySQMUPGUWNLSPBH-UHFFFAOYSA-N
XLogP-0.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 5-0.64
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 pentoxymethoxymethylbenzene
CID 172535131
ethane;phenylmethoxymethylbenzene
CID 90943549
CID 66734377
CID 66734377
(213C)ethoxymethylbenzene
CID 87947851
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
lithium;butoxymethylbenzene;hydride
CID 175482454
phenylmethoxymethyl nitrate
CID 152715822
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
acetic acid;phenylmethoxymethylbenzene
CID 175214238
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810

Frequently Asked Questions

What is the IUPAC name of lithium ethoxymethoxymethylbenzene?
The IUPAC name of lithium ethoxymethoxymethylbenzene (CID 10888373) is lithium ethoxymethoxymethylbenzene.
What is the SMILES notation for lithium ethoxymethoxymethylbenzene?
The canonical SMILES for lithium ethoxymethoxymethylbenzene is C[CH-]OCOCc1ccccc1.[Li+].
What is the InChIKey of lithium ethoxymethoxymethylbenzene?
The InChIKey is SQMUPGUWNLSPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2.Li/c1-2-11-9-12-8-10-6-4-3-5-7-10;/h2-7H,8-9H2,1H3;/q-1;+1.
What are the key properties of lithium ethoxymethoxymethylbenzene?
lithium ethoxymethoxymethylbenzene has a molecular weight of 172.15 g/mol, XLogP of -0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethoxymethoxymethylbenzene is sourced from PubChem (CID 10888373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).