CID 101484497

C6H11ClOZn- — CID 101484497

IUPAC—
SMILESCC/C=[C]/OCC.[Cl-].[Zn]
InChIInChI=1S/C6H11O.ClH.Zn/c1-3-5-6-7-4-2;;/h5H,3-4H2,1-2H3;1H;/p-1
InChIKeyQVZDRBKWKVFPKK-UHFFFAOYSA-M
MW200.00 g/mol
LogP-1.25
Rot. Bonds3

About CID 101484497

CID 101484497 (PubChem CID 101484497) has the molecular formula C6H11ClOZn- and a molecular weight of 200.00 g/mol.

Molecular Properties

Compound NameCID 101484497
PubChem CID101484497
Molecular FormulaC6H11ClOZn-
Molecular Weight200.00 g/mol
Exact Mass197.98
IUPAC Name—
SMILESCC/C=[C]/OCC.[Cl-].[Zn]
InChIInChI=1S/C6H11O.ClH.Zn/c1-3-5-6-7-4-2;;/h5H,3-4H2,1-2H3;1H;/p-1
InChIKeyQVZDRBKWKVFPKK-UHFFFAOYSA-M
XLogP-1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.00
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 101484498
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propanal;propane;yttrium
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CID 11571793
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octa-4,5-dien-1-amine
CID 55284757
octa-4,5-dien-1-ol
CID 14002940

Frequently Asked Questions

What is the IUPAC name of CID 101484497?
The IUPAC name of CID 101484497 (CID 101484497) is not available.
What is the SMILES notation for CID 101484497?
The canonical SMILES for CID 101484497 is CC/C=[C]/OCC.[Cl-].[Zn].
What is the InChIKey of CID 101484497?
The InChIKey is QVZDRBKWKVFPKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11O.ClH.Zn/c1-3-5-6-7-4-2;;/h5H,3-4H2,1-2H3;1H;/p-1.
What are the key properties of CID 101484497?
CID 101484497 has a molecular weight of 200.00 g/mol, XLogP of -1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101484497 is sourced from PubChem (CID 101484497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).