lithium 1-(propoxymethoxy)pentane

C9H19LiO2 — CID 172535115

IUPAClithium 1-(propoxymethoxy)pentane
SMILESC[CH-]CCCOCOCCC.[Li+]
InChIInChI=1S/C9H19O2.Li/c1-3-5-6-8-11-9-10-7-4-2;/h3H,4-9H2,1-2H3;/q-1;+1
InChIKeyKRSNFSSULNMFNV-UHFFFAOYSA-N
MW166.19 g/mol
LogP-0.60
Rot. Bonds8

About lithium 1-(propoxymethoxy)pentane

lithium 1-(propoxymethoxy)pentane (PubChem CID 172535115) has the molecular formula C9H19LiO2 and a molecular weight of 166.19 g/mol. Its IUPAC name is lithium 1-(propoxymethoxy)pentane.

Molecular Properties

Compound Namelithium 1-(propoxymethoxy)pentane
PubChem CID172535115
Molecular FormulaC9H19LiO2
Molecular Weight166.19 g/mol
Exact Mass166.15
IUPAC Namelithium 1-(propoxymethoxy)pentane
SMILESC[CH-]CCCOCOCCC.[Li+]
InChIInChI=1S/C9H19O2.Li/c1-3-5-6-8-11-9-10-7-4-2;/h3H,4-9H2,1-2H3;/q-1;+1
InChIKeyKRSNFSSULNMFNV-UHFFFAOYSA-N
XLogP-0.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 5-0.60
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

lithium 1-(methoxymethoxy)pentane
CID 172535172
1,3-bis(propoxymethoxy)propane;methane
CID 164971527
3-(propoxymethoxy)propan-1-amine
CID 87914264
lithium pentoxymethoxymethylbenzene
CID 172535131
magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide
CID 172535159
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
azane;1-propoxybutane
CID 87292575
methane;1-propoxybutane
CID 162202436
1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane
CID 175177315
2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide
CID 158068690
pentane;1-propoxypentane
CID 174500651
1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane
CID 165051795

Frequently Asked Questions

What is the IUPAC name of lithium 1-(propoxymethoxy)pentane?
The IUPAC name of lithium 1-(propoxymethoxy)pentane (CID 172535115) is lithium 1-(propoxymethoxy)pentane.
What is the SMILES notation for lithium 1-(propoxymethoxy)pentane?
The canonical SMILES for lithium 1-(propoxymethoxy)pentane is C[CH-]CCCOCOCCC.[Li+].
What is the InChIKey of lithium 1-(propoxymethoxy)pentane?
The InChIKey is KRSNFSSULNMFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O2.Li/c1-3-5-6-8-11-9-10-7-4-2;/h3H,4-9H2,1-2H3;/q-1;+1.
What are the key properties of lithium 1-(propoxymethoxy)pentane?
lithium 1-(propoxymethoxy)pentane has a molecular weight of 166.19 g/mol, XLogP of -0.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(propoxymethoxy)pentane is sourced from PubChem (CID 172535115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).