CID 16687130

C8H13ClZn — CID 16687130

IUPAC—
SMILESCCCC12C[C-](C1)C2.Cl[Zn+]
InChIInChI=1S/C8H13.ClH.Zn/c1-2-3-8-4-7(5-8)6-8;;/h2-6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyDEAWUJQTNMWFRH-UHFFFAOYSA-M
MW210.03 g/mol
LogP3.23
Rot. Bonds2

About CID 16687130

CID 16687130 (PubChem CID 16687130) has the molecular formula C8H13ClZn and a molecular weight of 210.03 g/mol.

Molecular Properties

Compound NameCID 16687130
PubChem CID16687130
Molecular FormulaC8H13ClZn
Molecular Weight210.03 g/mol
Exact Mass208.00
IUPAC Name—
SMILESCCCC12C[C-](C1)C2.Cl[Zn+]
InChIInChI=1S/C8H13.ClH.Zn/c1-2-3-8-4-7(5-8)6-8;;/h2-6H2,1H3;1H;/q-1;;+2/p-1
InChIKeyDEAWUJQTNMWFRH-UHFFFAOYSA-M
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.03
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 16687130?
The IUPAC name of CID 16687130 (CID 16687130) is not available.
What is the SMILES notation for CID 16687130?
The canonical SMILES for CID 16687130 is CCCC12C[C-](C1)C2.Cl[Zn+].
What is the InChIKey of CID 16687130?
The InChIKey is DEAWUJQTNMWFRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H13.ClH.Zn/c1-2-3-8-4-7(5-8)6-8;;/h2-6H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of CID 16687130?
CID 16687130 has a molecular weight of 210.03 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16687130 is sourced from PubChem (CID 16687130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).