lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene

C20H33LiO2 — CID 10828933

IUPAClithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene
SMILESCCCCCCC[C@@H]([CH-]c1ccccc1)COC(C)(C)OC.[Li+]
InChIInChI=1S/C20H33O2.Li/c1-5-6-7-8-10-15-19(17-22-20(2,3)21-4)16-18-13-11-9-12-14-18;/h9,11-14,16,19H,5-8,10,15,17H2,1-4H3;/q-1;+1/t19-;/m0./s1
InChIKeyJCMOAWGBXFJASQ-FYZYNONXSA-N
MW312.42 g/mol
LogP2.62
Rot. Bonds12

About lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene

lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene (PubChem CID 10828933) has the molecular formula C20H33LiO2 and a molecular weight of 312.42 g/mol. Its IUPAC name is lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene.

Molecular Properties

Compound Namelithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene
PubChem CID10828933
Molecular FormulaC20H33LiO2
Molecular Weight312.42 g/mol
Exact Mass312.26
IUPAC Namelithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene
SMILESCCCCCCC[C@@H]([CH-]c1ccccc1)COC(C)(C)OC.[Li+]
InChIInChI=1S/C20H33O2.Li/c1-5-6-7-8-10-15-19(17-22-20(2,3)21-4)16-18-13-11-9-12-14-18;/h9,11-14,16,19H,5-8,10,15,17H2,1-4H3;/q-1;+1/t19-;/m0./s1
InChIKeyJCMOAWGBXFJASQ-FYZYNONXSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.62
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

2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
lithium (2S)-N,N-diethyl-2-(phenylmethyl)hexan-1-amine
CID 10444993
(1-methoxy-2-methyl-1-phenyldecyl)benzene
CID 158531120
(1,1-dimethoxy-2-octyldodecyl)benzene
CID 150569123
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252
(2-tert-butyl-1-methoxy-1-phenyldecyl)benzene
CID 151749731
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
[(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene
CID 100977400
(2-chloro-2-methylundecan-3-yl)benzene
CID 151297079
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
(3-methyl-2-phenyloctan-2-yl)benzene
CID 174435866
(2-butyl-1,1-diphenyldecyl)benzene
CID 150177254

Frequently Asked Questions

What is the IUPAC name of lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene?
The IUPAC name of lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene (CID 10828933) is lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene.
What is the SMILES notation for lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene?
The canonical SMILES for lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene is CCCCCCC[C@@H]([CH-]c1ccccc1)COC(C)(C)OC.[Li+].
What is the InChIKey of lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene?
The InChIKey is JCMOAWGBXFJASQ-FYZYNONXSA-N. The full InChI is InChI=1S/C20H33O2.Li/c1-5-6-7-8-10-15-19(17-22-20(2,3)21-4)16-18-13-11-9-12-14-18;/h9,11-14,16,19H,5-8,10,15,17H2,1-4H3;/q-1;+1/t19-;/m0./s1.
What are the key properties of lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene?
lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene has a molecular weight of 312.42 g/mol, XLogP of 2.62, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(2R)-2-(2-methoxypropan-2-yloxymethyl)nonyl]benzene is sourced from PubChem (CID 10828933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).