lithium 3,3-dimethoxyprop-1-ene

C5H9LiO2 — CID 11137115

IUPAClithium 3,3-dimethoxyprop-1-ene
SMILESC=[C-]C(OC)OC.[Li+]
InChIInChI=1S/C5H9O2.Li/c1-4-5(6-2)7-3;/h5H,1H2,2-3H3;/q-1;+1
InChIKeyMSDSNJXIPIGKJV-UHFFFAOYSA-N
MW108.07 g/mol
LogP-2.40
Rot. Bonds3

About lithium 3,3-dimethoxyprop-1-ene

lithium 3,3-dimethoxyprop-1-ene (PubChem CID 11137115) has the molecular formula C5H9LiO2 and a molecular weight of 108.07 g/mol. Its IUPAC name is lithium 3,3-dimethoxyprop-1-ene.

Molecular Properties

Compound Namelithium 3,3-dimethoxyprop-1-ene
PubChem CID11137115
Molecular FormulaC5H9LiO2
Molecular Weight108.07 g/mol
Exact Mass108.08
IUPAC Namelithium 3,3-dimethoxyprop-1-ene
SMILESC=[C-]C(OC)OC.[Li+]
InChIInChI=1S/C5H9O2.Li/c1-4-5(6-2)7-3;/h5H,1H2,2-3H3;/q-1;+1
InChIKeyMSDSNJXIPIGKJV-UHFFFAOYSA-N
XLogP-2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 5-2.40
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 3,3-dimethoxyprop-1-ene?
The IUPAC name of lithium 3,3-dimethoxyprop-1-ene (CID 11137115) is lithium 3,3-dimethoxyprop-1-ene.
What is the SMILES notation for lithium 3,3-dimethoxyprop-1-ene?
The canonical SMILES for lithium 3,3-dimethoxyprop-1-ene is C=[C-]C(OC)OC.[Li+].
What is the InChIKey of lithium 3,3-dimethoxyprop-1-ene?
The InChIKey is MSDSNJXIPIGKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2.Li/c1-4-5(6-2)7-3;/h5H,1H2,2-3H3;/q-1;+1.
What are the key properties of lithium 3,3-dimethoxyprop-1-ene?
lithium 3,3-dimethoxyprop-1-ene has a molecular weight of 108.07 g/mol, XLogP of -2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,3-dimethoxyprop-1-ene is sourced from PubChem (CID 11137115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).