lithium 4-methyldecoxybenzene

C17H27LiO — CID 14069914

IUPAClithium 4-methyldecoxybenzene
SMILESCCCCCCC(C)CCCOc1cc[c-]cc1.[Li+]
InChIInChI=1S/C17H27O.Li/c1-3-4-5-7-11-16(2)12-10-15-18-17-13-8-6-9-14-17;/h8-9,13-14,16H,3-5,7,10-12,15H2,1-2H3;/q-1;+1
InChIKeyPOXGZHDUSKKBOR-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.26
Rot. Bonds10

About lithium 4-methyldecoxybenzene

lithium 4-methyldecoxybenzene (PubChem CID 14069914) has the molecular formula C17H27LiO and a molecular weight of 254.34 g/mol. Its IUPAC name is lithium 4-methyldecoxybenzene.

Molecular Properties

Compound Namelithium 4-methyldecoxybenzene
PubChem CID14069914
Molecular FormulaC17H27LiO
Molecular Weight254.34 g/mol
Exact Mass254.22
IUPAC Namelithium 4-methyldecoxybenzene
SMILESCCCCCCC(C)CCCOc1cc[c-]cc1.[Li+]
InChIInChI=1S/C17H27O.Li/c1-3-4-5-7-11-16(2)12-10-15-18-17-13-8-6-9-14-17;/h8-9,13-14,16H,3-5,7,10-12,15H2,1-2H3;/q-1;+1
InChIKeyPOXGZHDUSKKBOR-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.26
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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Related Compounds

4-Octyloxyphenyllithium
CID 12977031
lithium [(4S)-4-methyldecoxy]benzene
CID 14069916
Lithium 4-methyldodecoxybenzene
CID 14365104
lithium [(4S)-4-methyldodecoxy]benzene
CID 14365106
1-heptyl-4-[(2E,4E)-hexa-2,4-dienoxy]cyclohexane
CID 18689031
1-[(2E,4E)-hexa-2,4-dienoxy]-4-propylcyclohexane
CID 18689146
1-[(2E,4E)-hexa-2,4-dienoxy]-4-pentylcyclohexane
CID 18689165
1-Heptyl-4-hexa-2,4-dienoxycyclohexane
CID 54051203
1-Hexa-2,4-dienoxy-4-pentylcyclohexane
CID 54337499
1-Hexa-2,4-dienoxy-4-propylcyclohexane
CID 54551908
3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxymethyl]heptane
CID 118370479
1-Ethyl-4-hexa-1,3,5-trien-3-yloxycyclohexane
CID 123350690

Frequently Asked Questions

What is the IUPAC name of lithium 4-methyldecoxybenzene?
The IUPAC name of lithium 4-methyldecoxybenzene (CID 14069914) is lithium 4-methyldecoxybenzene.
What is the SMILES notation for lithium 4-methyldecoxybenzene?
The canonical SMILES for lithium 4-methyldecoxybenzene is CCCCCCC(C)CCCOc1cc[c-]cc1.[Li+].
What is the InChIKey of lithium 4-methyldecoxybenzene?
The InChIKey is POXGZHDUSKKBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O.Li/c1-3-4-5-7-11-16(2)12-10-15-18-17-13-8-6-9-14-17;/h8-9,13-14,16H,3-5,7,10-12,15H2,1-2H3;/q-1;+1.
What are the key properties of lithium 4-methyldecoxybenzene?
lithium 4-methyldecoxybenzene has a molecular weight of 254.34 g/mol, XLogP of 2.26, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-methyldecoxybenzene is sourced from PubChem (CID 14069914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).