CID 14603924

C3H5LiO2 — CID 14603924

IUPAC—
SMILES[CH-]1OCCO1.[Li+]
InChIInChI=1S/C3H5O2.Li/c1-2-5-3-4-1;/h3H,1-2H2;/q-1;+1
InChIKeyVLGUBYCOKOCLBV-UHFFFAOYSA-N
MW80.01 g/mol
LogP-2.84
Rot. Bonds

About CID 14603924

CID 14603924 (PubChem CID 14603924) has the molecular formula C3H5LiO2 and a molecular weight of 80.01 g/mol.

Molecular Properties

Compound NameCID 14603924
PubChem CID14603924
Molecular FormulaC3H5LiO2
Molecular Weight80.01 g/mol
Exact Mass80.04
IUPAC Name—
SMILES[CH-]1OCCO1.[Li+]
InChIInChI=1S/C3H5O2.Li/c1-2-5-3-4-1;/h3H,1-2H2;/q-1;+1
InChIKeyVLGUBYCOKOCLBV-UHFFFAOYSA-N
XLogP-2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.01
LogP ≤ 5-2.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxolane
CID 12586
Fluorodioxolane
CID 12100504
1,3-Dioxolane--water (1/1)
CID 67004557
2,2-Dideutero-1,3-dioxolane
CID 23260875
CID 13101938
CID 13101938
1,3-Dioxolan hydrochloride
CID 20088706
Dioxolan iodide
CID 54080216
4-Fluoro-1,3-dioxolane
CID 68562500
(4S)-4-fluoro-1,3-dioxolane
CID 174587303
CID 13218054
CID 13218054
2-Tritio-1,3-dioxolane
CID 18649512
Lithium 2-methanidyl-1,3-dioxolane
CID 23086943

Frequently Asked Questions

What is the IUPAC name of CID 14603924?
The IUPAC name of CID 14603924 (CID 14603924) is not available.
What is the SMILES notation for CID 14603924?
The canonical SMILES for CID 14603924 is [CH-]1OCCO1.[Li+].
What is the InChIKey of CID 14603924?
The InChIKey is VLGUBYCOKOCLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O2.Li/c1-2-5-3-4-1;/h3H,1-2H2;/q-1;+1.
What are the key properties of CID 14603924?
CID 14603924 has a molecular weight of 80.01 g/mol, XLogP of -2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14603924 is sourced from PubChem (CID 14603924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).