CID 135048454

C11H13BLi — CID 135048454

IUPAC—
SMILES[B-][C@H]1CCC[C@@H]1c1ccccc1.[Li+]
InChIInChI=1S/C11H13B.Li/c12-11-8-4-7-10(11)9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8H2;/q-1;+1/t10-,11+;/m1./s1
InChIKeySIKHMJTYMDVQJN-DHXVBOOMSA-N
MW162.98 g/mol
LogP-0.08
Rot. Bonds1

About CID 135048454

CID 135048454 (PubChem CID 135048454) has the molecular formula C11H13BLi and a molecular weight of 162.98 g/mol.

Molecular Properties

Compound NameCID 135048454
PubChem CID135048454
Molecular FormulaC11H13BLi
Molecular Weight162.98 g/mol
Exact Mass163.13
IUPAC Name—
SMILES[B-][C@H]1CCC[C@@H]1c1ccccc1.[Li+]
InChIInChI=1S/C11H13B.Li/c12-11-8-4-7-10(11)9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8H2;/q-1;+1/t10-,11+;/m1./s1
InChIKeySIKHMJTYMDVQJN-DHXVBOOMSA-N
XLogP-0.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.98
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
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(2R,3R)-1,2-dimethyl-3-phenylpiperidine
CID 97355864
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
1-bromo-2-phenylcycloheptane
CID 63510810
[(1R,2S)-2-phenylcyclopentyl] methanesulfonate
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Frequently Asked Questions

What is the IUPAC name of CID 135048454?
The IUPAC name of CID 135048454 (CID 135048454) is not available.
What is the SMILES notation for CID 135048454?
The canonical SMILES for CID 135048454 is [B-][C@H]1CCC[C@@H]1c1ccccc1.[Li+].
What is the InChIKey of CID 135048454?
The InChIKey is SIKHMJTYMDVQJN-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H13B.Li/c12-11-8-4-7-10(11)9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8H2;/q-1;+1/t10-,11+;/m1./s1.
What are the key properties of CID 135048454?
CID 135048454 has a molecular weight of 162.98 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135048454 is sourced from PubChem (CID 135048454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).