lithium [(4S)-4-methyldodecoxy]benzene

C19H31LiO — CID 14365106

IUPAClithium [(4S)-4-methyldodecoxy]benzene
SMILESCCCCCCCC[C@H](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/t18-;/m0./s1
InChIKeyMBHJNRDAHDRDQB-FERBBOLQSA-N
MW282.40 g/mol
LogP3.04
Rot. Bonds12

About lithium [(4S)-4-methyldodecoxy]benzene

lithium [(4S)-4-methyldodecoxy]benzene (PubChem CID 14365106) has the molecular formula C19H31LiO and a molecular weight of 282.40 g/mol. Its IUPAC name is lithium [(4S)-4-methyldodecoxy]benzene.

Molecular Properties

Compound Namelithium [(4S)-4-methyldodecoxy]benzene
PubChem CID14365106
Molecular FormulaC19H31LiO
Molecular Weight282.40 g/mol
Exact Mass282.25
IUPAC Namelithium [(4S)-4-methyldodecoxy]benzene
SMILESCCCCCCCC[C@H](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/t18-;/m0./s1
InChIKeyMBHJNRDAHDRDQB-FERBBOLQSA-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 [(4S)-4-methyldodecoxy]benzene?
The IUPAC name of lithium [(4S)-4-methyldodecoxy]benzene (CID 14365106) is lithium [(4S)-4-methyldodecoxy]benzene.
What is the SMILES notation for lithium [(4S)-4-methyldodecoxy]benzene?
The canonical SMILES for lithium [(4S)-4-methyldodecoxy]benzene is CCCCCCCC[C@H](C)CCCOc1cc[c-]cc1.[Li+].
What is the InChIKey of lithium [(4S)-4-methyldodecoxy]benzene?
The InChIKey is MBHJNRDAHDRDQB-FERBBOLQSA-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/t18-;/m0./s1.
What are the key properties of lithium [(4S)-4-methyldodecoxy]benzene?
lithium [(4S)-4-methyldodecoxy]benzene 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 [(4S)-4-methyldodecoxy]benzene is sourced from PubChem (CID 14365106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).