chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate

C12H16ClNO3Zn — CID 138976643

IUPACchlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1[c-]cccc1OC.Cl[Zn+]
InChIInChI=1S/C12H16NO3.ClH.Zn/c1-4-13(5-2)12(14)16-11-9-7-6-8-10(11)15-3;;/h6-8H,4-5H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyUYZOGCIEPHEQGQ-UHFFFAOYSA-M
MW323.11 g/mol
LogP3.02
Rot. Bonds4

About chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate

chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate (PubChem CID 138976643) has the molecular formula C12H16ClNO3Zn and a molecular weight of 323.11 g/mol. Its IUPAC name is chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Namechlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate
PubChem CID138976643
Molecular FormulaC12H16ClNO3Zn
Molecular Weight323.11 g/mol
Exact Mass321.01
IUPAC Namechlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1[c-]cccc1OC.Cl[Zn+]
InChIInChI=1S/C12H16NO3.ClH.Zn/c1-4-13(5-2)12(14)16-11-9-7-6-8-10(11)15-3;;/h6-8H,4-5H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyUYZOGCIEPHEQGQ-UHFFFAOYSA-M
XLogP3.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate?
The IUPAC name of chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate (CID 138976643) is chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate.
What is the SMILES notation for chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate?
The canonical SMILES for chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1[c-]cccc1OC.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate?
The InChIKey is UYZOGCIEPHEQGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16NO3.ClH.Zn/c1-4-13(5-2)12(14)16-11-9-7-6-8-10(11)15-3;;/h6-8H,4-5H2,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate?
chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate has a molecular weight of 323.11 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);(2-methoxybenzene-6-id-1-yl) N,N-diethylcarbamate is sourced from PubChem (CID 138976643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).