lithium;2-dodecylphenol;hydride

C18H31LiO — CID 174657819

IUPAClithium;2-dodecylphenol;hydride
SMILESCCCCCCCCCCCCc1ccccc1O.[H-].[Li+]
InChIInChI=1S/C18H30O.Li.H/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;;/h12-13,15-16,19H,2-11,14H2,1H3;;/q;+1;-1
InChIKeyKPJUERFUFFBYIJ-UHFFFAOYSA-N
MW270.39 g/mol
LogP2.97
Rot. Bonds11

About lithium;2-dodecylphenol;hydride

lithium;2-dodecylphenol;hydride (PubChem CID 174657819) has the molecular formula C18H31LiO and a molecular weight of 270.39 g/mol. Its IUPAC name is lithium;2-dodecylphenol;hydride.

Molecular Properties

Compound Namelithium;2-dodecylphenol;hydride
PubChem CID174657819
Molecular FormulaC18H31LiO
Molecular Weight270.39 g/mol
Exact Mass270.25
IUPAC Namelithium;2-dodecylphenol;hydride
SMILESCCCCCCCCCCCCc1ccccc1O.[H-].[Li+]
InChIInChI=1S/C18H30O.Li.H/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;;/h12-13,15-16,19H,2-11,14H2,1H3;;/q;+1;-1
InChIKeyKPJUERFUFFBYIJ-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

disodium;hydride;2-nonylphenol
CID 175531956
2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
ethene;2-nonylphenol
CID 66616289
2-decylphenol;hydrazine
CID 159983030
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
tris(2-nonylphenol);phosphite
CID 21116114
carbonic acid;bis(2-nonylphenol)
CID 69221300
2-nonylphenol;pentan-1-ol
CID 70367302

Frequently Asked Questions

What is the IUPAC name of lithium;2-dodecylphenol;hydride?
The IUPAC name of lithium;2-dodecylphenol;hydride (CID 174657819) is lithium;2-dodecylphenol;hydride.
What is the SMILES notation for lithium;2-dodecylphenol;hydride?
The canonical SMILES for lithium;2-dodecylphenol;hydride is CCCCCCCCCCCCc1ccccc1O.[H-].[Li+].
What is the InChIKey of lithium;2-dodecylphenol;hydride?
The InChIKey is KPJUERFUFFBYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O.Li.H/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;;/h12-13,15-16,19H,2-11,14H2,1H3;;/q;+1;-1.
What are the key properties of lithium;2-dodecylphenol;hydride?
lithium;2-dodecylphenol;hydride has a molecular weight of 270.39 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-dodecylphenol;hydride is sourced from PubChem (CID 174657819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).