lithium (4S)-2-ethylidene-4-methyloxane

C8H13LiO — CID 134945155

IUPAClithium (4S)-2-ethylidene-4-methyloxane
SMILESC/[C-]=C1\C[C@@H](C)CCO1.[Li+]
InChIInChI=1S/C8H13O.Li/c1-3-8-6-7(2)4-5-9-8;/h7H,4-6H2,1-2H3;/q-1;+1/t7-;/m0./s1
InChIKeyNMTVJNFWEKYTBE-FJXQXJEOSA-N
MW132.13 g/mol
LogP-0.86
Rot. Bonds

About lithium (4S)-2-ethylidene-4-methyloxane

lithium (4S)-2-ethylidene-4-methyloxane (PubChem CID 134945155) has the molecular formula C8H13LiO and a molecular weight of 132.13 g/mol. Its IUPAC name is lithium (4S)-2-ethylidene-4-methyloxane.

Molecular Properties

Compound Namelithium (4S)-2-ethylidene-4-methyloxane
PubChem CID134945155
Molecular FormulaC8H13LiO
Molecular Weight132.13 g/mol
Exact Mass132.11
IUPAC Namelithium (4S)-2-ethylidene-4-methyloxane
SMILESC/[C-]=C1\C[C@@H](C)CCO1.[Li+]
InChIInChI=1S/C8H13O.Li/c1-3-8-6-7(2)4-5-9-8;/h7H,4-6H2,1-2H3;/q-1;+1/t7-;/m0./s1
InChIKeyNMTVJNFWEKYTBE-FJXQXJEOSA-N
XLogP-0.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (4S)-2-ethylidene-4-methyloxane?
The IUPAC name of lithium (4S)-2-ethylidene-4-methyloxane (CID 134945155) is lithium (4S)-2-ethylidene-4-methyloxane.
What is the SMILES notation for lithium (4S)-2-ethylidene-4-methyloxane?
The canonical SMILES for lithium (4S)-2-ethylidene-4-methyloxane is C/[C-]=C1\C[C@@H](C)CCO1.[Li+].
What is the InChIKey of lithium (4S)-2-ethylidene-4-methyloxane?
The InChIKey is NMTVJNFWEKYTBE-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H13O.Li/c1-3-8-6-7(2)4-5-9-8;/h7H,4-6H2,1-2H3;/q-1;+1/t7-;/m0./s1.
What are the key properties of lithium (4S)-2-ethylidene-4-methyloxane?
lithium (4S)-2-ethylidene-4-methyloxane has a molecular weight of 132.13 g/mol, XLogP of -0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4S)-2-ethylidene-4-methyloxane is sourced from PubChem (CID 134945155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).