lithium 4-methyldodecoxybenzene

C19H31LiO — CID 14365104

IUPAClithium 4-methyldodecoxybenzene
SMILESCCCCCCCCC(C)CCCOc1cc[c-]cc1.[Li+]
InChIInChI=1S/C19H31O.Li/c1-3-4-5-6-7-9-13-18(2)14-12-17-20-19-15-10-8-11-16-19;/h10-11,15-16,18H,3-7,9,12-14,17H2,1-2H3;/q-1;+1
InChIKeyMBHJNRDAHDRDQB-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.04
Rot. Bonds12

About lithium 4-methyldodecoxybenzene

lithium 4-methyldodecoxybenzene (PubChem CID 14365104) has the molecular formula C19H31LiO and a molecular weight of 282.40 g/mol. Its IUPAC name is lithium 4-methyldodecoxybenzene.

Molecular Properties

Compound Namelithium 4-methyldodecoxybenzene
PubChem CID14365104
Molecular FormulaC19H31LiO
Molecular Weight282.40 g/mol
Exact Mass282.25
IUPAC Namelithium 4-methyldodecoxybenzene
SMILESCCCCCCCCC(C)CCCOc1cc[c-]cc1.[Li+]
InChIInChI=1S/C19H31O.Li/c1-3-4-5-6-7-9-13-18(2)14-12-17-20-19-15-10-8-11-16-19;/h10-11,15-16,18H,3-7,9,12-14,17H2,1-2H3;/q-1;+1
InChIKeyMBHJNRDAHDRDQB-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 4-methyldodecoxybenzene?
The IUPAC name of lithium 4-methyldodecoxybenzene (CID 14365104) is lithium 4-methyldodecoxybenzene.
What is the SMILES notation for lithium 4-methyldodecoxybenzene?
The canonical SMILES for lithium 4-methyldodecoxybenzene is CCCCCCCCC(C)CCCOc1cc[c-]cc1.[Li+].
What is the InChIKey of lithium 4-methyldodecoxybenzene?
The InChIKey is MBHJNRDAHDRDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31O.Li/c1-3-4-5-6-7-9-13-18(2)14-12-17-20-19-15-10-8-11-16-19;/h10-11,15-16,18H,3-7,9,12-14,17H2,1-2H3;/q-1;+1.
What are the key properties of lithium 4-methyldodecoxybenzene?
lithium 4-methyldodecoxybenzene has a molecular weight of 282.40 g/mol, XLogP of 3.04, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-methyldodecoxybenzene is sourced from PubChem (CID 14365104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).