lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate

C7H9LiO2 — CID 135045984

IUPAClithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate
SMILESCC12CCC=C([O-])C1O2.[Li+]
InChIInChI=1S/C7H10O2.Li/c1-7-4-2-3-5(8)6(7)9-7;/h3,6,8H,2,4H2,1H3;/q;+1/p-1
InChIKeyZXGRVSZOHYRTHL-UHFFFAOYSA-M
MW132.09 g/mol
LogP-2.81
Rot. Bonds

About lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate

lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate (PubChem CID 135045984) has the molecular formula C7H9LiO2 and a molecular weight of 132.09 g/mol. Its IUPAC name is lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate.

Molecular Properties

Compound Namelithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate
PubChem CID135045984
Molecular FormulaC7H9LiO2
Molecular Weight132.09 g/mol
Exact Mass132.08
IUPAC Namelithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate
SMILESCC12CCC=C([O-])C1O2.[Li+]
InChIInChI=1S/C7H10O2.Li/c1-7-4-2-3-5(8)6(7)9-7;/h3,6,8H,2,4H2,1H3;/q;+1/p-1
InChIKeyZXGRVSZOHYRTHL-UHFFFAOYSA-M
XLogP-2.81
TPSA35.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 5-2.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[[(1S,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889954
lithium (1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate
CID 134890094
Lithium 5-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-olate
CID 135045985
(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-ene
CID 154715744
(1S,2S,4S,7S)-1-methyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 11715173
(1R,2S,4S,7R)-1-methyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 16749492
6-Methyl-7-oxabicyclo[4.1.0]hept-2-ene
CID 87645235
4-Ethyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 141119726
5-Propoxy-1-propyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 175217721
(1R,2R,4R,7R)-1-methyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 11571801
Trimethyl-[(6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane
CID 12771787
(1R,2S,4R,7R)-1-methyl-3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
CID 16749496

Frequently Asked Questions

What is the IUPAC name of lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate?
The IUPAC name of lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate (CID 135045984) is lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate.
What is the SMILES notation for lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate?
The canonical SMILES for lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate is CC12CCC=C([O-])C1O2.[Li+].
What is the InChIKey of lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate?
The InChIKey is ZXGRVSZOHYRTHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10O2.Li/c1-7-4-2-3-5(8)6(7)9-7;/h3,6,8H,2,4H2,1H3;/q;+1/p-1.
What are the key properties of lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate?
lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate has a molecular weight of 132.09 g/mol, XLogP of -2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-olate is sourced from PubChem (CID 135045984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).