CID 172792017

C4H9Li2O — CID 172792017

IUPAC—
SMILESCCCC[O-].[Li+].[Li]
InChIInChI=1S/C4H9O.2Li/c1-2-3-4-5;;/h2-4H2,1H3;;/q-1;;+1
InChIKeyPRTXDOIOFJTRNA-UHFFFAOYSA-N
MW87.00 g/mol
LogP-3.23
Rot. Bonds2

About CID 172792017

CID 172792017 (PubChem CID 172792017) has the molecular formula C4H9Li2O and a molecular weight of 87.00 g/mol.

Molecular Properties

Compound NameCID 172792017
PubChem CID172792017
Molecular FormulaC4H9Li2O
Molecular Weight87.00 g/mol
Exact Mass87.10
IUPAC Name—
SMILESCCCC[O-].[Li+].[Li]
InChIInChI=1S/C4H9O.2Li/c1-2-3-4-5;;/h2-4H2,1H3;;/q-1;;+1
InChIKeyPRTXDOIOFJTRNA-UHFFFAOYSA-N
XLogP-3.23
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.00
LogP ≤ 5-3.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 172792017?
The IUPAC name of CID 172792017 (CID 172792017) is not available.
What is the SMILES notation for CID 172792017?
The canonical SMILES for CID 172792017 is CCCC[O-].[Li+].[Li].
What is the InChIKey of CID 172792017?
The InChIKey is PRTXDOIOFJTRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2Li/c1-2-3-4-5;;/h2-4H2,1H3;;/q-1;;+1.
What are the key properties of CID 172792017?
CID 172792017 has a molecular weight of 87.00 g/mol, XLogP of -3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172792017 is sourced from PubChem (CID 172792017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).