CID 134864779

C6H11LiO — CID 134864779

IUPAC—
SMILESCC(C)(C)C1[CH-]O1.[Li+]
InChIInChI=1S/C6H11O.Li/c1-6(2,3)5-4-7-5;/h4-5H,1-3H3;/q-1;+1
InChIKeyGZGFJZOPPZJQED-UHFFFAOYSA-N
MW106.09 g/mol
LogP-1.40
Rot. Bonds

About CID 134864779

CID 134864779 (PubChem CID 134864779) has the molecular formula C6H11LiO and a molecular weight of 106.09 g/mol.

Molecular Properties

Compound NameCID 134864779
PubChem CID134864779
Molecular FormulaC6H11LiO
Molecular Weight106.09 g/mol
Exact Mass106.10
IUPAC Name—
SMILESCC(C)(C)C1[CH-]O1.[Li+]
InChIInChI=1S/C6H11O.Li/c1-6(2,3)5-4-7-5;/h4-5H,1-3H3;/q-1;+1
InChIKeyGZGFJZOPPZJQED-UHFFFAOYSA-N
XLogP-1.40
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.09
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134864779?
The IUPAC name of CID 134864779 (CID 134864779) is not available.
What is the SMILES notation for CID 134864779?
The canonical SMILES for CID 134864779 is CC(C)(C)C1[CH-]O1.[Li+].
What is the InChIKey of CID 134864779?
The InChIKey is GZGFJZOPPZJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O.Li/c1-6(2,3)5-4-7-5;/h4-5H,1-3H3;/q-1;+1.
What are the key properties of CID 134864779?
CID 134864779 has a molecular weight of 106.09 g/mol, XLogP of -1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134864779 is sourced from PubChem (CID 134864779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).