lithium 4-(methoxymethoxy)-5-methylhex-1-ene

C9H17LiO2 — CID 10464654

IUPAClithium 4-(methoxymethoxy)-5-methylhex-1-ene
SMILESC=[C-]CC(OCOC)C(C)C.[Li+]
InChIInChI=1S/C9H17O2.Li/c1-5-6-9(8(2)3)11-7-10-4;/h8-9H,1,6-7H2,2-4H3;/q-1;+1
InChIKeyMHPXMAMTXDUCPW-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.99
Rot. Bonds6

About lithium 4-(methoxymethoxy)-5-methylhex-1-ene

lithium 4-(methoxymethoxy)-5-methylhex-1-ene (PubChem CID 10464654) has the molecular formula C9H17LiO2 and a molecular weight of 164.17 g/mol. Its IUPAC name is lithium 4-(methoxymethoxy)-5-methylhex-1-ene.

Molecular Properties

Compound Namelithium 4-(methoxymethoxy)-5-methylhex-1-ene
PubChem CID10464654
Molecular FormulaC9H17LiO2
Molecular Weight164.17 g/mol
Exact Mass164.14
IUPAC Namelithium 4-(methoxymethoxy)-5-methylhex-1-ene
SMILESC=[C-]CC(OCOC)C(C)C.[Li+]
InChIInChI=1S/C9H17O2.Li/c1-5-6-9(8(2)3)11-7-10-4;/h8-9H,1,6-7H2,2-4H3;/q-1;+1
InChIKeyMHPXMAMTXDUCPW-UHFFFAOYSA-N
XLogP-0.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.99
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 4-(methoxymethoxy)-5-methylhex-1-ene?
The IUPAC name of lithium 4-(methoxymethoxy)-5-methylhex-1-ene (CID 10464654) is lithium 4-(methoxymethoxy)-5-methylhex-1-ene.
What is the SMILES notation for lithium 4-(methoxymethoxy)-5-methylhex-1-ene?
The canonical SMILES for lithium 4-(methoxymethoxy)-5-methylhex-1-ene is C=[C-]CC(OCOC)C(C)C.[Li+].
What is the InChIKey of lithium 4-(methoxymethoxy)-5-methylhex-1-ene?
The InChIKey is MHPXMAMTXDUCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2.Li/c1-5-6-9(8(2)3)11-7-10-4;/h8-9H,1,6-7H2,2-4H3;/q-1;+1.
What are the key properties of lithium 4-(methoxymethoxy)-5-methylhex-1-ene?
lithium 4-(methoxymethoxy)-5-methylhex-1-ene has a molecular weight of 164.17 g/mol, XLogP of -0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(methoxymethoxy)-5-methylhex-1-ene is sourced from PubChem (CID 10464654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).