CID 87217285

C6H16LiO2 — CID 87217285

IUPAC—
SMILESCC(C)O.CC(C)O.[Li]
InChIInChI=1S/2C3H8O.Li/c2*1-3(2)4;/h2*3-4H,1-2H3;
InChIKeyGJEONNOFGDRKJW-UHFFFAOYSA-N
MW127.13 g/mol
LogP0.39
Rot. Bonds

About CID 87217285

CID 87217285 (PubChem CID 87217285) has the molecular formula C6H16LiO2 and a molecular weight of 127.13 g/mol.

Molecular Properties

Compound NameCID 87217285
PubChem CID87217285
Molecular FormulaC6H16LiO2
Molecular Weight127.13 g/mol
Exact Mass127.13
IUPAC Name—
SMILESCC(C)O.CC(C)O.[Li]
InChIInChI=1S/2C3H8O.Li/c2*1-3(2)4;/h2*3-4H,1-2H3;
InChIKeyGJEONNOFGDRKJW-UHFFFAOYSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.13
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 87217285?
The IUPAC name of CID 87217285 (CID 87217285) is not available.
What is the SMILES notation for CID 87217285?
The canonical SMILES for CID 87217285 is CC(C)O.CC(C)O.[Li].
What is the InChIKey of CID 87217285?
The InChIKey is GJEONNOFGDRKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8O.Li/c2*1-3(2)4;/h2*3-4H,1-2H3;.
What are the key properties of CID 87217285?
CID 87217285 has a molecular weight of 127.13 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87217285 is sourced from PubChem (CID 87217285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).