lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol

C18H25LiO2 — CID 167459395

IUPAClithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol
SMILES[CH2-]Cc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.[Li+]
InChIInChI=1S/C18H25O2.Li/c1-5-15-11-17(19)16(18(20)12-15)10-9-14(4)8-6-7-13(2)3;/h7,9,11-12,19-20H,1,5-6,8,10H2,2-4H3;/q-1;+1/b14-9+;
InChIKeyHLPWSRGZTMYVJU-KYIGKLDSSA-N
MW280.34 g/mol
LogP1.71
Rot. Bonds6

About lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol

lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol (PubChem CID 167459395) has the molecular formula C18H25LiO2 and a molecular weight of 280.34 g/mol. Its IUPAC name is lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol.

Molecular Properties

Compound Namelithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol
PubChem CID167459395
Molecular FormulaC18H25LiO2
Molecular Weight280.34 g/mol
Exact Mass280.20
IUPAC Namelithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol
SMILES[CH2-]Cc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.[Li+]
InChIInChI=1S/C18H25O2.Li/c1-5-15-11-17(19)16(18(20)12-15)10-9-14(4)8-6-7-13(2)3;/h7,9,11-12,19-20H,1,5-6,8,10H2,2-4H3;/q-1;+1/b14-9+;
InChIKeyHLPWSRGZTMYVJU-KYIGKLDSSA-N
XLogP1.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol
CID 59444407
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 14163455
2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75038821
4-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,2-diol
CID 140650993
5-[2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 11825998
4-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]benzonitrile
CID 10270710
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
CID 102457415
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-ethyl-2,4-dihydroxybenzoic acid
CID 169440142
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-hydroxyethoxy)-5-pentylphenol
CID 167459407
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethyl-1,3-dimethoxybenzene
CID 167459397
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxybenzaldehyde
CID 5365915

Frequently Asked Questions

What is the IUPAC name of lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol?
The IUPAC name of lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol (CID 167459395) is lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol.
What is the SMILES notation for lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol?
The canonical SMILES for lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol is [CH2-]Cc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.[Li+].
What is the InChIKey of lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol?
The InChIKey is HLPWSRGZTMYVJU-KYIGKLDSSA-N. The full InChI is InChI=1S/C18H25O2.Li/c1-5-15-11-17(19)16(18(20)12-15)10-9-14(4)8-6-7-13(2)3;/h7,9,11-12,19-20H,1,5-6,8,10H2,2-4H3;/q-1;+1/b14-9+;.
What are the key properties of lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol?
lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol has a molecular weight of 280.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol is sourced from PubChem (CID 167459395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).