lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane

C12H27LiO — CID 174475120

IUPAClithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
SMILESCCCCCCCCOC(C)(C)C.[H-].[Li+]
InChIInChI=1S/C12H26O.Li.H/c1-5-6-7-8-9-10-11-13-12(2,3)4;;/h5-11H2,1-4H3;;/q;+1;-1
InChIKeyMGVFPXYBRHARDP-UHFFFAOYSA-N
MW194.29 g/mol
LogP1.28
Rot. Bonds7

About lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane

lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane (PubChem CID 174475120) has the molecular formula C12H27LiO and a molecular weight of 194.29 g/mol. Its IUPAC name is lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane.

Molecular Properties

Compound Namelithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
PubChem CID174475120
Molecular FormulaC12H27LiO
Molecular Weight194.29 g/mol
Exact Mass194.22
IUPAC Namelithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
SMILESCCCCCCCCOC(C)(C)C.[H-].[Li+]
InChIInChI=1S/C12H26O.Li.H/c1-5-6-7-8-9-10-11-13-12(2,3)4;;/h5-11H2,1-4H3;;/q;+1;-1
InChIKeyMGVFPXYBRHARDP-UHFFFAOYSA-N
XLogP1.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]hexane
CID 164583744
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
1-ethoxy-5-[(2-methylpropan-2-yl)oxy]pentane
CID 88911131
(5E,7E)-14-[(2-methylpropan-2-yl)oxy]tetradeca-5,7-diene
CID 10515929
azane;2-dodecoxypropan-2-ol
CID 87960511
2-dodecoxy-2-methyltetradecane
CID 158074564
9-heptoxy-9-methylhenicosane
CID 91127088
1-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propoxy]octane
CID 134366206
2-decoxy-2-methylbutan-1-ol
CID 152517276
1-(trichloromethoxy)hexane
CID 87956638
9-[(2-methylpropan-2-yl)oxy]nonane-1-thiol
CID 105344392
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane?
The IUPAC name of lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane (CID 174475120) is lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane.
What is the SMILES notation for lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane?
The canonical SMILES for lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane is CCCCCCCCOC(C)(C)C.[H-].[Li+].
What is the InChIKey of lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane?
The InChIKey is MGVFPXYBRHARDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.Li.H/c1-5-6-7-8-9-10-11-13-12(2,3)4;;/h5-11H2,1-4H3;;/q;+1;-1.
What are the key properties of lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane?
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane has a molecular weight of 194.29 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane is sourced from PubChem (CID 174475120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).