CID 87162953

C6H13ClMg — CID 87162953

IUPAC—
SMILESCCCCCCCl.[Mg]
InChIInChI=1S/C6H13Cl.Mg/c1-2-3-4-5-6-7;/h2-6H2,1H3;
InChIKeyNZEPTYFEQXMAHK-UHFFFAOYSA-N
MW144.93 g/mol
LogP2.42
Rot. Bonds4

About CID 87162953

CID 87162953 (PubChem CID 87162953) has the molecular formula C6H13ClMg and a molecular weight of 144.93 g/mol.

Molecular Properties

Compound NameCID 87162953
PubChem CID87162953
Molecular FormulaC6H13ClMg
Molecular Weight144.93 g/mol
Exact Mass144.06
IUPAC Name—
SMILESCCCCCCCl.[Mg]
InChIInChI=1S/C6H13Cl.Mg/c1-2-3-4-5-6-7;/h2-6H2,1H3;
InChIKeyNZEPTYFEQXMAHK-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.93
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 175284520
1-chlorohexane;N,N-dimethylmethanamine
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Frequently Asked Questions

What is the IUPAC name of CID 87162953?
The IUPAC name of CID 87162953 (CID 87162953) is not available.
What is the SMILES notation for CID 87162953?
The canonical SMILES for CID 87162953 is CCCCCCCl.[Mg].
What is the InChIKey of CID 87162953?
The InChIKey is NZEPTYFEQXMAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl.Mg/c1-2-3-4-5-6-7;/h2-6H2,1H3;.
What are the key properties of CID 87162953?
CID 87162953 has a molecular weight of 144.93 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87162953 is sourced from PubChem (CID 87162953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).