CID 10104573

C8H12BrLiO — CID 10104573

IUPAC—
SMILESCO[C@@]12CCCC[C@@H]1[C-]2Br.[Li+]
InChIInChI=1S/C8H12BrO.Li/c1-10-8-5-3-2-4-6(8)7(8)9;/h6H,2-5H2,1H3;/q-1;+1/t6-,8+;/m1./s1
InChIKeyONYSHPFMKTVOCG-HNJRQZNRSA-N
MW211.03 g/mol
LogP-0.49
Rot. Bonds1

About CID 10104573

CID 10104573 (PubChem CID 10104573) has the molecular formula C8H12BrLiO and a molecular weight of 211.03 g/mol.

Molecular Properties

Compound NameCID 10104573
PubChem CID10104573
Molecular FormulaC8H12BrLiO
Molecular Weight211.03 g/mol
Exact Mass210.02
IUPAC Name—
SMILESCO[C@@]12CCCC[C@@H]1[C-]2Br.[Li+]
InChIInChI=1S/C8H12BrO.Li/c1-10-8-5-3-2-4-6(8)7(8)9;/h6H,2-5H2,1H3;/q-1;+1/t6-,8+;/m1./s1
InChIKeyONYSHPFMKTVOCG-HNJRQZNRSA-N
XLogP-0.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.03
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10104573?
The IUPAC name of CID 10104573 (CID 10104573) is not available.
What is the SMILES notation for CID 10104573?
The canonical SMILES for CID 10104573 is CO[C@@]12CCCC[C@@H]1[C-]2Br.[Li+].
What is the InChIKey of CID 10104573?
The InChIKey is ONYSHPFMKTVOCG-HNJRQZNRSA-N. The full InChI is InChI=1S/C8H12BrO.Li/c1-10-8-5-3-2-4-6(8)7(8)9;/h6H,2-5H2,1H3;/q-1;+1/t6-,8+;/m1./s1.
What are the key properties of CID 10104573?
CID 10104573 has a molecular weight of 211.03 g/mol, XLogP of -0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10104573 is sourced from PubChem (CID 10104573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).