CID 16687083

C14H17BrMg — CID 16687083

IUPAC—
SMILESCCCc1ccc(C23C[C-](C2)C3)cc1.[Br-].[Mg+2]
InChIInChI=1S/C14H17.BrH.Mg/c1-2-3-11-4-6-13(7-5-11)14-8-12(9-14)10-14;;/h4-7H,2-3,8-10H2,1H3;1H;/q-1;;+2/p-1
InChIKeyMCBIQQCEPAMDID-UHFFFAOYSA-M
MW289.50 g/mol
LogP0.27
Rot. Bonds3

About CID 16687083

CID 16687083 (PubChem CID 16687083) has the molecular formula C14H17BrMg and a molecular weight of 289.50 g/mol.

Molecular Properties

Compound NameCID 16687083
PubChem CID16687083
Molecular FormulaC14H17BrMg
Molecular Weight289.50 g/mol
Exact Mass288.04
IUPAC Name—
SMILESCCCc1ccc(C23C[C-](C2)C3)cc1.[Br-].[Mg+2]
InChIInChI=1S/C14H17.BrH.Mg/c1-2-3-11-4-6-13(7-5-11)14-8-12(9-14)10-14;;/h4-7H,2-3,8-10H2,1H3;1H;/q-1;;+2/p-1
InChIKeyMCBIQQCEPAMDID-UHFFFAOYSA-M
XLogP0.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.50
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 16687083?
The IUPAC name of CID 16687083 (CID 16687083) is not available.
What is the SMILES notation for CID 16687083?
The canonical SMILES for CID 16687083 is CCCc1ccc(C23C[C-](C2)C3)cc1.[Br-].[Mg+2].
What is the InChIKey of CID 16687083?
The InChIKey is MCBIQQCEPAMDID-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H17.BrH.Mg/c1-2-3-11-4-6-13(7-5-11)14-8-12(9-14)10-14;;/h4-7H,2-3,8-10H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of CID 16687083?
CID 16687083 has a molecular weight of 289.50 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16687083 is sourced from PubChem (CID 16687083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).