lithium 3-(methoxymethoxy)hex-1-ene

C8H15LiO2 — CID 135083628

IUPAClithium 3-(methoxymethoxy)hex-1-ene
SMILES[H]/[C-]=C\C(CCC)OCOC.[Li+]
InChIInChI=1S/C8H15O2.Li/c1-4-6-8(5-2)10-7-9-3;/h2,5,8H,4,6-7H2,1,3H3;/q-1;+1
InChIKeyJCJXIXLIBUOLBO-UHFFFAOYSA-N
MW150.15 g/mol
LogP-1.23
Rot. Bonds6

About lithium 3-(methoxymethoxy)hex-1-ene

lithium 3-(methoxymethoxy)hex-1-ene (PubChem CID 135083628) has the molecular formula C8H15LiO2 and a molecular weight of 150.15 g/mol. Its IUPAC name is lithium 3-(methoxymethoxy)hex-1-ene.

Molecular Properties

Compound Namelithium 3-(methoxymethoxy)hex-1-ene
PubChem CID135083628
Molecular FormulaC8H15LiO2
Molecular Weight150.15 g/mol
Exact Mass150.12
IUPAC Namelithium 3-(methoxymethoxy)hex-1-ene
SMILES[H]/[C-]=C\C(CCC)OCOC.[Li+]
InChIInChI=1S/C8H15O2.Li/c1-4-6-8(5-2)10-7-9-3;/h2,5,8H,4,6-7H2,1,3H3;/q-1;+1
InChIKeyJCJXIXLIBUOLBO-UHFFFAOYSA-N
XLogP-1.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 3-(methoxymethoxy)hex-1-ene?
The IUPAC name of lithium 3-(methoxymethoxy)hex-1-ene (CID 135083628) is lithium 3-(methoxymethoxy)hex-1-ene.
What is the SMILES notation for lithium 3-(methoxymethoxy)hex-1-ene?
The canonical SMILES for lithium 3-(methoxymethoxy)hex-1-ene is [H]/[C-]=C\C(CCC)OCOC.[Li+].
What is the InChIKey of lithium 3-(methoxymethoxy)hex-1-ene?
The InChIKey is JCJXIXLIBUOLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2.Li/c1-4-6-8(5-2)10-7-9-3;/h2,5,8H,4,6-7H2,1,3H3;/q-1;+1.
What are the key properties of lithium 3-(methoxymethoxy)hex-1-ene?
lithium 3-(methoxymethoxy)hex-1-ene has a molecular weight of 150.15 g/mol, XLogP of -1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(methoxymethoxy)hex-1-ene is sourced from PubChem (CID 135083628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).